 | This template uses Lua:
|
Template {{Chembox}}
is an infobox for chemicals. It has a large number of options to add relevant data and images. The infobox is organized in sections like "identifiers" and "hazards".
The Chembox has a modular design. After the general information like the chemical name and images, it can be built from multiple sections, each covering a group of information (like "pharmacology"). Depending on the compound, sections can be added or left out, and within a section parameters can be added or omitted (left blank).
The sections and their parameters are listed below.
Within the general chembox template (with its own parameters like |ImageFile=
and |IUPACName=
), each section is added with this pattern (as the value of a parameter |Sectionx=
.
{{Chembox
| ImageFile =
| IUPACName =
<!-- more general Chembox parameters here -->
| Section1 = {{Chembox Identifiers
| CASNo =
| PubChem =
<!-- more Identifier parameters here -->
}}
}}
In this format, spaces and new lines have no meaning and can be used freely to separate sections (though within a data value, a space has a meaning, except generally leading and trailing spaces).
Each section has its own number in |Section#=
. Then a section is defined with "|Section# = {{Chembox "
and ends with "}}"
. Sections cannot 'nest': one must close one section with }}
before adding another |Section#= {{Chembox ...
.
Keep in mind the advice in the main Infobox documentation to use the {{Unbulleted list}} template to present multiple values for a parameter so as to ensure that the values are each started on a new line and tagged appropriately in the underlying markup. This is particularly important with parameters like |OtherNames=
, since many names use commas within them, and using commas as separators leads to ambiguity. For example:
| OtherNames = {{Unbulleted list
| 2,4,6(1''H'',3''H'',5''H'')-pyrimidinetrione
| 2,4,6-trioxohexahydropyrimidine
| pyrimidinetriol
| malonylurea
| 6-hydroxyuracil
| ''N'',''N''-(1,3-dioxo-1,3-propanediyl)urea
}}
| (next parameter) = <!-- etc. -->
Small, simple form[ସମ୍ପାଦନା]
To use, simply copy and paste the left column into the document, filling in whatever you can, and save:
{{Chembox
<!-- Images -->
| ImageFile =
| ImageSize =
| ImageAlt =
<!-- Names -->
| IUPACName =
| OtherNames =
<!-- Sections -->
| Section1 = {{Chembox Identifiers
| CASNo =
| PubChem =
| SMILES =
}}
| Section2 = {{Chembox Properties
| Formula =
| MolarMass =
| Appearance =
| Density =
| MeltingPt =
| BoilingPt =
| Solubility =
}}
| Section3 = {{Chembox Hazards
| MainHazards =
| FlashPt =
| AutoignitionPt =
}}
}}
|
To use, simply copy and paste the left column into the document, filling in whatever you can:
{{Chembox
| Reference =
<!-- Names -->
| Name =
| IUPACName =
| PIN =
| SystematicName =
| OtherNames = {{Unbulleted list
| ''name1''
| ''name2''
...
| ''name50''
}}
<!-- Images -->
| ImageFile =
| ImageSize =
| ImageAlt =
| ImageName =
| ImageFile1 =
| ImageSize1 =
| ImageAlt1 =
| ImageName1 =
| ImageFile2 =
| ImageSize2 =
| ImageAlt2 =
| ImageName2 =
| ImageFile3 =
| ImageSize3 =
| ImageAlt3 =
| ImageName3 =
| ImageFileL1 =
| ImageSizeL1 =
| ImageAltL1 =
| ImageNameL1 =
| ImageFileR1 =
| ImageSizeR1 =
| ImageAltR1 =
| ImageNameR1 =
| ImageFileL2 =
| ImageSizeL2 =
| ImageAltL2 =
| ImageNameL2 =
| ImageFileR2 =
| ImageSizeR2 =
| ImageAltR2 =
| ImageNameR2 =
<!-- Sections -->
| Section1 = {{Chembox Identifiers
| 3DMet =
| Abbreviations =
| Beilstein =
| CASNo =
| CASNo_Comment =
| CASOther =
| ChEBI =
| ChemSpiderID =
| EINECS =
| EC_number =
| EC_number_Comment =
| Gmelin =
| InChI =
| KEGG =
| MeSHName =
| PubChem =
| RTECS =
| SMILES =
| UNNumber =
}}
| Section2 = {{Chembox Properties
| AtmosphericOHRateConstant =
| Appearance =
| BoilingPt =
| BoilingPtC =
| BoilingPt_ref =
| BoilingPt_notes =
| Density =
| Formula =
| HenryConstant =
| LogP =
| MolarMass =
| MeltingPt =
| MeltingPtC =
| MeltingPt_ref =
| MeltingPt_notes =
| pKa =
| pKb =
| Solubility =
| SolubleOther =
| Solvent =
| VaporPressure =
}}
| Section3 = {{Chembox Structure
| Coordination =
| CrystalStruct =
| MolShape =
}}
| Section4 = {{Chembox Thermochemistry
| DeltaGf =
| DeltaHc =
| DeltaHf =
| Entropy =
| HeatCapacity =
}}
| Section5 = {{Chembox Explosive
| ShockSens =
| FrictionSens =
| DetonationV =
| REFactor =
}}
| Section6 = {{Chembox Pharmacology
| ATCvet =
| ATCCode_prefix =
| ATCCode_suffix =
| ATC_Supplemental =
| AdminRoutes =
| Bioavail =
| Excretion =
| HalfLife =
| Metabolism =
| legal_status =
| legal_AU =
| legal_AU_comment =
| legal_CA =
| legal_CA_comment =
| legal_NZ =
| legal_NZ_comment =
| legal_US =
| legal_US_comment =
| legal_UK =
| legal_UK_comment =
| legal_EU =
| legal_EU_comment =
| legal_UN =
| legal_UN_comment =
| pregnancy_category =
| pregnancy_AU =
| pregnancy_AU_comment =
| pregnancy_US =
| pregnancy_US_comment =
| ProteinBound =
| Dependence_liability =
| Addiction_liability =
}}
| Section7 = {{Chembox Hazards
| AutoignitionPt =
| ExploLimits =
| FlashPt =
| LD50 =
| LC50 =
| MainHazards =
| NFPA-F =
| NFPA-H =
| NFPA-R =
| NFPA-S =
| PEL =
| REL =
| ExternalSDS =
| GHSPictograms =
| GHSSignalWord =
| HPhrases =
| PPhrases =
}}
| Section9 = {{Chembox Related
| OtherAnions =
| OtherCations =
| OtherFunction =
| OtherFunction_label =
| OtherCompounds =
}}
}}
|
Title (default: article name) Reference, use <ref> </ref> and add <references/> to the page IUPAC name The systematic name(s) Any other name(s)
Like filename.svg (not [[image:filename.svg]]) Picture width (default=200px; example: ImageSize=100px) Alt text for picture (example: Fine dry white powder) Picture caption (example: Oxygen in liquid form)
{{Chembox Identifiers}}
Any abbreviations
CAS Number, links to eMolecules
ChEBI, links to EBI
EINECS, links to ecb; URL is http://ecb.jrc.it/esis/index.php?GENRE=ECNO&ENTREE= EINECS, links to ecb, different URL http://ecb.jrc.it/esis/index.php?GENRE=CASNO&ENTREE=
InChI, no link KEGG, links to genome.ad.jp Medical Subject Headings, links to NIH PubChem, links to pubchem RTECS, no link SMILES, no link
{{Chembox Properties}}: physical properties Atmospheric OH rate constant Its appearance Boiling point, in plain text Notes on boiling point Density, including unit The molecular formula Henry's law constant (kH) Partition coefficient Molecular weight, including unit Melting point, in plain text Notes on melting point pKa pKb Solubility in water Solubility in other solvents, goes together with next In which solvent it is soluble Vapor pressure
{{Chembox Structure}}: crystal structure Coordination Crystal structure Molecular shape
{{Chembox Thermochemistry}}
Delta Gf Delta Hc Delta Hf Entropy Heat capacity
{{Chembox Explosive}}
Shock sensitivity Friction sensitivity Explosive velocity Relative effectiveness factor
{{Chembox Pharmacology}}: drug data ATCvet=yes if the next two parameters define an ATCvet code ATCCode prefix (first three characters, omit the leading Q for ATCvet codes), internal link ATCCode suffix (last 4 characters), full ATC links to WHO C.C. Other ATC codes (use the {{ATC}} and/or {{ATCvet}} templates) Admin Routes Bioavailability Excretion Half Life Metabolism Legal status Legal status in AU
Legal status in CA
Legal status in NZ
Legal status in US
Legal status in UK
Legal status in EU
Legal status in UN
Pregnancy Category Pregnancy Category in US
Pregnancy Category in AU
Protein Bound
{{Chembox Hazards}}
Autoignition temperature EU Class EU Index Explosion limits URL for Safety Data Sheet Flash point LD50 LC50 Main hazards NFPA-F: Fire hazard 0–4 (red) NFPA-H: Health hazard 0–4 (blue) NFPA-R: Reactivity hazard 0–4 (yellow) NFPA-S: Special hazards (aka Other; white): W, OX, COR, ALK, ACID, CRYO, RA PEL HPhrases: use the {{H-phrases}} template for this PPhrases: use the {{P-phrases}} template for this
{{Chembox Related}}: related substances The function Other anions Other cations Other compounds: adds a chemical 'see also' section Other function:
|
To use, simply copy and paste the left column into the document, and press save to get an empty Chembox:
Long parameter list for {{ Chembox}}
|
Sections parameter lists may be incomplete
{{Chembox
| Reference =
<!-- Names -->
| Name =
| IUPACName =
| SystematicName =
| OtherNames =
<!-- Images -->
| ImageFile =
| ImageAlt =
| ImageCaption =
| ImageFile1 =
| ImageAlt1 =
| ImageCaption1 =
| ImageFile2 =
| ImageAlt2 =
| ImageCaption2 =
| ImageFile3 =
| ImageAlt3 =
| ImageCaption3 =
| ImageFile4 =
| ImageAlt4 =
| ImageCaption4 =
| ImageFileL1 =
| ImageAltL1 =
| ImageCaptionL1 =
| ImageFileR1 =
| ImageSizeR1 =
| ImageAltR1 =
| ImageCaptionR1 =
| ImageFileL2 =
| ImageAltL2 =
| ImageCaptionL2 =
| ImageFileR2 =
| ImageSizeR2 =
| ImageAltR2 =
| ImageCaptionR2 =
<!-- Style settings -->
| width =
| style-left-column-width =
<!-- Sections -->
| Section1 = {{Chembox Identifiers
| Abbreviations =
| CASNo =
| CASNo_Comment =
| CASNo_Ref =
| CASNos =
| CASOther =
| PubChem =
| PubChem_Comment =
| PubChem5 =
| PubChem5_Comment =
| PubChemOther =
| ChemSpiderID =
| ChemSpiderID_Comment =
| ChemSpiderID5 =
| ChemSpiderIDOther =
| EINECS =
| EC_number =
| EC_number_Comment =
| UNNumber =
| DrugBank =
| KEGG =
| MeSHName =
| ChEBI =
| RTECS =
| ATCvet =
| ATCCode_prefix =
| ATCCode_suffix =
| ATC_Supplemental =
| SMILES =
| InChI =
| Beilstein =
| Gmelin =
| 3DMet = }}
| Section2 = {{Chembox Properties
| Formula =
| MolarMass =
| Appearance =
| Density =
| MeltingPt =
| MeltingPt_notes =
| BoilingPt =
| BoilingPt_notes =
| LogP =
| VaporPressure =
| HenryConstant =
| AtmosphericOHRateConstant =
| pKa =
| pKb =
| Solubility =
| SolubleOther =
| Solvent =
| Sheet Resistance =
| Methacrylate Equiv Wt =
| Bulk Conductivity =
}}
| Section3 = {{Chembox Structure
| CrystalStruct =
| Coordination =
| MolShape =
}}
| Section4 = {{Chembox Thermochemistry
| DeltaGf =
| DeltaHc =
| DeltaHf =
| Entropy =
| HeatCapacity =
}}
| Section5 = {{Chembox Pharmacology
| AdminRoutes =
| Bioavail =
| Metabolism =
| HalfLife =
| ProteinBound =
| Excretion =
| legal_status =
| legal_AU =
| legal_AU_comment =
| legal_CA =
| legal_CA_comment =
| legal_NZ =
| legal_NZ_comment =
| legal_US =
| legal_US_comment =
| legal_UK =
| legal_UK_comment =
| legal_EU =
| legal_EU_comment =
| legal_UN =
| legal_UN_comment =
| pregnancy_category =
| pregnancy_AU =
| pregnancy_AU_comment =
| pregnancy_US =
| pregnancy_US_comment =
}}
| Section6 = {{Chembox Explosive
| ShockSens =
| FrictionSens =
| ExplosiveV =
| REFactor =
}}
| Section7 = {{Chembox Hazards
| MainHazards =
| NFPA-F =
| NFPA-H =
| NFPA-R =
| NFPA-S =
| ExternalSDS =
| GHSPictograms =
| GHSSignalWord =
| HPhrases =
| PPhrases =
| FlashPt =
| Autoignition =
| ExploLimits =
| LD50 =
| PEL =
}}
| Section8 = {{Chembox Related
| OtherAnions =
| OtherCations =
| OtherFunction_label =
| OtherFunction =
| OtherCompounds =
}}
}}
|
Chembox: Template name
- Name: title above the box (DEFAULT: article name)
- filename.svg (not [[image:filename.svg]]
- picture size (example: ImageSize = 100px, default = 200px)
- alt text for picture (example: Fine dry white powder)
- Picture caption (example: Oxygen in liquid form)
- the IUPAC name
- hide IUPAC name if very long; show-button is displayed
- the systematic name
- any other name
- reference; include <ref> </ref>s, add <references/> to the page
Section Identifiers: Standard numbers etc.
- any abbreviations
- CAS Number: links to eMolecules
- KEGG: links to genome.ad.jp
- Medical Subject Headings: links to NIH
- ChEBI: links to EBI
- RTECS: no link
- ATCvet = yes if the next two parameters define an ATCvet code
- ATCCode prefix (first three characters, omit the leading Q for ATCvet codes), internal link
- ATCCode suffix (last 4 characters), full ATC links to WHO C.C.
- Other ATC codes (use the {{ATC}} and/or {{ATCvet}} templates)
- SMILES: no link
- InChI: no link
Section Properties: Physical properties
- the molecular formula
- molecular weight, including unit
- Its appearance
- Density, including unit.
- Melting Point, including unit.
- Notes on melting point.
- Boiling Point, including unit.
- Notes on boiling point.
- Partition coefficient
- Vapor pressure
- Henry's law constant (kH)
- Atmospheric OH rate constant
- pKa
- pKb
- Sheet Resistance
- Methacrylate Equiv Wt
- Bulk Conductivity
Section Structure: Crystal structure information
- Crystal Structure
- Coordination
- Molecular Shape
Section Thermochemistry: Thermochemical properties
- Delta Gf
- Delta Hc
- Delta Hf
- Entropy
- Heat Capacity
Section Pharmacology: Pharmacology/drug data
- Admin Routes
- Bioavailability
- Metabolism
- Half Life
- Protein Bound
- Excretion
- Legal status
- Legal status in US
- Legal status in UK
- Legal status in AU
- Legal status in CA
- Pregnancy Category
- Pregnancy Category in US
- Pregnancy Category in AU
Section Explosive: Explosive properties
- Shock Sensitivity
- Friction Sensitivity
- Explosive speed
- RE Factor
Section Hazards: Hazards
- URL for Safety Data Sheet
- EU Index
- Main Hazards
- NFPA-F: NFPA 704 Fire hazard 0&ndahs;4 (red)
- NFPA-H: NFPA 704 Health hazard 0&ndahs;4 (blue)
- NFPA-R: NFPA 704 Reactivity hazard 0&ndahs;4 (yellow)
- NFPA-O: NFPA 704 Other hazards: W, OX, COR, ALK, ACID, CRYO, RA (white)
- HPhrases: use the {{H-phrases}} template for this
- PPhrases: use the {{P-phrases}} template for this
- Flash Point
- Autoignition
- Explosion Limits
- LD50
- PEL
Section Related: Related compounds etc.
- Other Anions
- Other Cations
- Other Function: works with the next field
- Function: the function
- Other Compounds: chemical 'see also' section
-end
|
|
Indexed parameters[ସମ୍ପାଦନା]
| CASNo =
| CASNo1 =
| CASNo2 =
| CASNo3 =
| CASNo4 =
| CASNo5 =
| CASNoOther =
Indexed parameters
|
Overview (index numbers 2-3-4 omitted):
| CASNo =
| CASNo1 =
| CASNo5 =
| CASNoOther =
| ChEBI =
| ChEBI1 =
| ChEBI5 =
| ChEBIOther =
| ChEMBL =
| ChEMBL1 =
| ChEMBL5 =
| ChEMBLOther =
| ChemSpiderID =
| ChemSpiderID1 =
| ChemSpiderID5 =
| ChemSpiderIDOther =
| DrugBank =
| DrugBank1 =
| DrugBank5 =
| DrugBankOther =
| InChI =
| InChI1 =
| InChI5 =
| InChIOther =
| KEGG =
| KEGG1 =
| KEGG5 =
| KEGGOther =
| PubChem =
| PubChem1 =
| PubChem5 =
| PubChemOther =
| SMILES =
| SMILES1 =
| SMILES5 =
| SMILESOther =
| UNII =
| UNII1 =
| UNII5 =
| UNIIOther =
|
Indexed parameters take indexes 'blank', 1–5 (six options together). They should have straight input, such as a correct CAS Registry Number.
- Eight base parameters are indexed this way, all identifiers:
CASNo, ChEBI, ChEMBL, ChemSpiderID, DrugBank, InChI, KEGG, PubChem, SMILES, UNII
- Then
|_Other=
(like |CASNoOther=
) is available for free text input.
same substance, same index[ସମ୍ପାଦନା]
When the chembox has multiple substances, you can use the index. Make sure that |CASNo3=
and |SMILES3=
are about the same substance, and |CASNo3=
and |SMILES2=
are not. Treat index "0" the same way:
|CASNo=
is |InChI=
is |SMILES=
|CASNo1=
is |InChI1=
is |SMILES1=
|CASNo=
is not |InChI1=
is not |SMILES4=
Labeling the substances[ସମ୍ପାଦନା]
By using a parameter like |index2_label=
, you can prefix every #2-input with that same prefix.
{{chembox
| Name=[[Linalool]]
|Section1={{Chembox Identifiers
| index_label =
| index1_label = (''R'')
| index2_label = (''S'')
| index_comment = (+/-)-linalool
| index1_comment = (-)-linalool
| index2_comment = (+)-linalool
| CASNo = 78-70-6
| CASNo1 = 126-91-0
| CASNo2 = 126-90-9
| PubChem = 6549
| PubChem1 = 443158
| PubChem2 = 67179
}}
}}
- Tracking categories (test):
| CASNo_Comment =
| CASNo1_Comment =
| CASNo5_Comment =
- For specific additions, each parameter has a
|_Comment=
option.
Section subtemplates[ସମ୍ପାଦନା]
The following section subtemplates are available:
And the automated section, that is visible when 'pagename (data page)' exists:
See these subsections for their parameter options.
The order of these sections in the infobox is set by the section number (|Section#=
) only. Not by the typed sequence. This documentation keeps this arbitrary order:
| Section1 = {{Chembox Identifiers}}
| Section2 = {{Chembox Properties}}
| Section3 = {{Chembox Structure}}
| Section4 = {{Chembox Thermochemistry}}
| Section5 = {{Chembox Explosive}}
| Section6 = {{Chembox Pharmacology}}
| Section7 = {{Chembox Hazards}}
| Section9 = {{Chembox Related}}
Sections that are not used can be safely removed, renumbering is not necessary.
Image parameters for the first images:
{{Chembox
<!-- Other chembox parameters can go here -->
<!-- Row 1/9 -->{{Chembox image
| ImageFile =
| ImageName =
| ImageSize =
| ImageAlt =
| ImageCaption =
| ImageFile_Ref =
}}
<!-- Row 2/9 -->{{Chembox image
| ImageFile1 =
| ImageName1 =
| ImageSize1 =
| ImageAlt1 =
| ImageCaption1 =
| ImageFile1_Ref =
}}
<!-- Row 3/9 -->{{Chembox image sbs
| ImageFileL1 =
| ImageNameL1 =
| ImageSizeL1 =
| ImageAltL1 =
| ImageCaptionL1 =
| ImageFileL1_Ref =
| ImageFileR1 =
| ImageNameR1 =
| ImageSizeR1 =
| ImageAltR1 =
| ImageCaptionR1 =
| ImageFileR1_Ref =
}}
<!-- More chembox parameters can go here, like |Section1=... -->
}}
Image parameters for an image (example: File1). All are optional.
Chembox

A caption shows here
|
- Tracking categories (test):
{{Chembox
| ImageFile1 = Furfural.svg
| ImageAlt1 = Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen
| ImageName1 =
| ImageCaption1 = A caption shows here
| ImageSize1 = 120px
| ImageFile1_Ref =ref
}}
Adding two images:
Chembox
|
|
- Tracking categories (test):
{{Chembox
| ImageFile = Furfural.svg
| ImageAlt = Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen
| ImageFile1 = Furfural-3D-vdW.png
| ImageAlt1 = 3D filled-sphere model of the same molecule
}}
This gives two images, each image on his own row (note, ImageFile is the first image, ImageFile1 is the second).
Adding two images, side by side (L1 and R1):
- Tracking categories (test):
{{Chembox
| ImageFileL1 = Furfural.svg
| ImageAltL1 = Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen
| ImageFileR1 = Furfural-3D-vdW.png
| ImageAltR1 = 3D filled-sphere model of the same molecule
}}
This gives one row with two images. Note that ImageFile is now not supplied.
Multiple images[ସମ୍ପାଦନା]
Chembox images ordering
row 1
|
ImageFile
|
row 2
|
ImageFile1
|
row 3
|
ImageFileL1 |
ImageFileR1
|
row 4
|
ImageFileL2 |
ImageFileR2
|
row 5
|
ImageFile2
|
row 6
|
ImageFile3
|
row 7
|
ImageFileL3 |
ImageFileR3
|
row 8
|
ImageFileL4 |
ImageFileR4
|
row 9
|
ImageFile4
|
This gives the possibility to play a bit with which image is first (rows with empty parameters are not displayed). Example:
- Tracking categories (test):
{{Chembox
| ImageFileL1 = Furfural.svg
| ImageAltL1 = Skeleton formula of a ring of four carbons and one oxygen, with a carbon-oxygen attached to a carbon next to an oxygen
| ImageFileR1 = Furfural-3D-vdW.png
| ImageSizeR1 =
| ImageAltR1 = 3D filled-sphere model of the same molecule
| ImageFile2 = Water droplet blue bg05.jpg
| ImageAlt2 = Water droplet erupting from the center of a concentric ring of ripples, evidently in response to a drop landing in the water just before
| IUPACName = example
}}
This gives one row with two images, and one row with one image.
{{Chembox
<!-- Names -->
| Name =
| IUPACName =
| IUPACNames =
| PIN =
| SystematicName =
| OtherNames =
<!-- other parameters -->
}}
|
Infobox title (Pagetitle is default)
IUPAC name
Using -s makes section header plural
Preferred IUPAC name
Systematic IUPAC name
List of all other name(s)
|
- Tracking categories (test):
{{Chembox
| Name=''cis''-3-Hexen-1-ol
| IUPACNames = A, B
| PIN = PIN
| SystematicName = SYS
| OtherNames = X<br/>Y<br/>Z
}}
Input from Wikidata[ସମ୍ପାଦନା]
E number and ECHA InfoCard ID are read from Wikidata.
Troubleshooting[ସମ୍ପାଦନା]
- When supplying a parameter with a value, and nothing or the wrong value shows up, check:
- Is the parameter placed in the correct section?
- Are the sections properly defined? Sections start with | Section# = {{Chembox sectionname |" and end with "}}".
- Is there inconsistency in the Section numbering? Available numbers for sections are 1 – 9.
Tracking categories[ସମ୍ପାଦନା]
Chembox templates |
---|
|
|
---|
{{Chembox
| Reference =
<!-- Names -->
| Name =
| pronounce =
| IUPACName =
| IUPACNames = <!-- -s for plural -->
| PIN =
| SystematicName =
| OtherNames =
<!-- Image parameters: see below -->
<!-- Sections -->
| Section1 =
| Section2 =
| Section3 =
| Section4 =
| Section5 =
| Section6 =
| Section7 =
| Section8 =
| Section9 =
<!-- Style settings -->
| style =
| width =
<!-- Bot parameter. Do not add, change or remove -->
| Verifiedfields =
| Watchedfields =
| verifiedrevid =
<!-- IMAGE row 1/9 -->
| ImageFile =
| ImageName =
| ImageSize =
| ImageAlt =
| ImageCaption =
<!-- IMAGE row 2/9 -->
| ImageFile1 =
| ImageName1 =
| ImageSize1 =
| ImageAlt1 =
| ImageCaption1 =
<!-- IMAGE (L, R) row 3/9 -->
| ImageNameL1 =
| ImageFileL1 =
| ImageSizeL1 =
| ImageAltL1 =
| ImageCaptionL1 =
| ImageNameR1 =
| ImageFileR1 =
| ImageSizeR1 =
| ImageAltR1 =
| ImageCaptionR1 =
<!-- IMAGE (L, R) row 4/9 -->
| ImageNameL2 =
| ImageFileL2 =
| ImageSizeL2 =
| ImageAltL2 =
| ImageCaptionL2 =
| ImageNameR2 =
| ImageFileR2 =
| ImageSizeR2 =
| ImageAltR2 =
| ImageCaptionR2 =
<!-- IMAGE row 5/9 -->
| ImageName2 =
| ImageFile2 =
| ImageSize2 =
| ImageAlt2 =
| ImageCaption2 =
<!-- IMAGE row 6/9 -->
| ImageName3 =
| ImageFile3 =
| ImageSize3 =
| ImageAlt3 =
| ImageCaption3 =
<!-- IMAGE rows 7-8-9/9 See below. ( _L3/R3, _L3/R4, _4: rarely needed or used) -->
}}
|
{{Chembox}} - main parameters
|
- Rarely used parameters
{{Chembox
<!-- footer settings -->
| style-left-column-width=
| show_ss_note =
| show_infobox_ref =
| general_note =
<!-- IMAGE (L, R) row 7/9 -->
| ImageNameL3 =
| ImageFileL3 =
| ImageSizeL3 =
| ImageAltL3 =
| ImageCaptionL3 =
| ImageNameR3 =
| ImageFileR3 =
| ImageSizeR3 =
| ImageAltR3 =
| ImageCaptionR3 =
<!-- IMAGE (L, R) row 8/9 -->
| ImageNameL4 =
| ImageFileL4 =
| ImageSizeL4 =
| ImageAltL4 =
| ImageCaptionL4 =
| ImageNameR4 =
| ImageFileR4 =
| ImageSizeR4 =
| ImageAltR4 =
| ImageCaptionR4 =
<!-- IMAGE row 9/9 -->
| ImageName4 =
| ImageFile4 =
| ImageSize4 =
| ImageAlt4 =
| ImageCaption4 =
}}
|
{{Chembox}} - rarely used parameters
|
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|Section1={{Chembox Identifiers
| Identifiers_ref =
<!--CASNo, +ix 1–5-->
| CASNo =
| CASNo_Comment =
| CASNo1 =
| CASNo1_Comment =
| CASNoOther =
<!--ChEBI, +ix 1–5-->
| ChEBI =
| ChEBI_Comment =
| ChEBI1 =
| ChEBI1_Comment =
| ChEBIOther =
<!--ChEMBL, +ix 1–5-->
| ChEMBL =
| ChEMBL_Comment =
| ChEMBL1 =
| ChEMBL1_Comment =
| ChEMBLOther =
<!--ChemSpiderID, +ix 1–5-->
| ChemSpiderID =
| ChemSpiderID_Comment =
| ChemSpiderID1 =
| ChemSpiderID1_Comment =
| ChemSpiderIDOther =
<!--DrugBank, +ix 1–5-->
| DrugBank =
| DrugBank_Comment =
| DrugBank1 =
| DrugBank1_Comment =
| DrugBankOther =
<!--IUPHAR_ligand, +ix 1–5-->
| IUPHAR_ligand =
| IUPHAR_ligand_Comment =
| IUPHAR_ligand1 =
| IUPHAR_ligand1_Comment =
| IUPHAR_ligand_Other =
<!--KEGG, +ix 1–5-->
| KEGG =
| KEGG_Comment =
| KEGG1 =
| KEGG1_Comment =
| KEGGOther =
<!--PubChem, +ix 1–5-->
| PubChem =
| PubChem_Comment =
| PubChem1 =
| PubChem1_Comment =
| PubChemOther =
<!--SMILES, Jmol 1–5-->
| SMILES =
| SMILES_Comment =
| SMILES1 =
| SMILES1_Comment =
| SMILESOther =
| Jmol =
| Jmol1 =
<!--StdInChI-->
| StdInChI =
| StdInChI_Comment =
| StdInChIKey =
<!--InChI, Key: index 1–5-->
| InChI =
| InChI_Comment =
| InChIKey =
| InChI1 =
| InChI1_Comment =
| InChIKey1 =
| InChIOther =
<!--UNII, +ix 1–5-->
| UNII =
| UNII_Comment =
| UNII1 =
| UNII1_Comment =
| UNIIOther =
<!--non-indexed params-->
| 3DMet =
| Abbreviations =
| Beilstein =
| EC_number =
| EC_number_Comment =
| Gmelin =
| MeSHName =
| RTECS =
| UNNumber =
}}
|
{{Chembox Identifiers}}
------
CAS registry number, links to http://www.commonchemistry.org/
CAS registry number comment
Other CAS RN (unformatted)
------
ChEBI, links to http://www.ebi.ac.uk/chebi/
------
CHeMBL
------
ChemSpider ID, links to http://www.chemspider.com/
ChemSpider ID comment
ChemSpider ID verified? If yes, type: {{chemspidercite}}
Other ChemSpider ID
------
DrugBank
comment
Other DrugBank
------
IUPHAR/BPS
comment
Other IUPHAR
------
KEGG entry, links to http://www.genome.jp/kegg/
------
PubChem compound ID, links to http://pubchem.ncbi.nlm.nih.gov/
PubChem compound ID comment
Other PubChem compound ID
------
SMILES
SMILES comment
Other SMILES
------
StdInChI
StdInChI comment
StdInChI Key
StdInChI Key comment
------
InChI
InChI comment
Other InChI
InChI Key
InChI Key comment
Other InChI Key
------
UNII: Unique Ingredient Identifier, by FDA
UNII comment
Other UNII
------
3DMET entry, links to http://www.3dmet.dna.affrc.go.jp/
Abbreviations
Beilstein reference
EC_number (aka EINECS)
E number (food additive code)
Gmelin ID
UN number
MeSH heading, links to http://www.nlm.nih.gov/mesh/
RTECS number
|
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| Section2={{Chembox Properties
| Properties_ref =
| Formula =
| Formula_ref =
| Formula_comment =
| C= | H= | N= <!--(etc)-->
| Formula_Charge =
| MolarMass =
| MolarMassRound =
| MolarMass_ref =
| MolarMass_notes =
| Appearance =
| Odor = | Odour =
| Density =
| MeltingPt =
| MeltingPtC =
| MeltingPtF =
| MeltingPtK =
| MeltingPt_ref =
| MeltingPt_notes =
| BoilingPt =
| BoilingPtC =
| BoilingPtF =
| BoilingPtK =
| BoilingPt_ref =
| BoilingPt_notes =
| SublimationConditions =
| Solubility =
| SolubilityProduct =
| SolubilityProductAs =
| SolubleOther =
| Solvent =
| Solubility1 =
| Solvent1 =
| Solubility2 =
| Solvent2 =
| Solubility3 =
| Solvent3 =
| Solubility4 =
| Solvent4 =
| Solubility5 =
| Solvent5 =
| CMC =
| HLB =
| LogP =
| VaporPressure =
| HenryConstant =
| AtmosphericOHRateConstant =
| pKa =
| pKb =
| IsoelectricPt =
| LambdaMax =
| Absorbance =
| BandGap =
| ElectronMobility =
| SpecRotation =
| MagSus =
| ThermalConductivity =
| RefractIndex =
| Viscosity =
| CriticalRelativeHumidity =
| Dipole =
| OrbitalHybridisation =
| SpecificSurfaceArea =
| PoreVolume =
| AveragePoreSize =
}}
|
{{Chembox Properties}} - incomplete list
Reference
Chemical formula
reference
comment
per element (alternative input)
molecule charge
MolarMass
MolarMassRound
MolarMass_ref
MolarMass_notes
Appearance
Odor, Odour
Density
MeltingPt, any text
Number, in Celcius. Is converted to F and K
Also possible: MeltingPtF=, or MeltingPtK=
BoilingPt, any text
Number, in Celcius. Is converted to F and K
Also possible: BoilingPtF=, or BoilingPtK=
SublimationConditions
Solubility in water (Aqueous solution)
SolubilityProduct
SolubilityProductAs
SolubleOther
Solvent
Solubility1
[[{{{Solvent1}}}]]
Solubility2
[[{{{Solvent2}}}]]
Solubility3
[[{{{Solvent3}}}]]
Solubility4
[[{{{Solvent4}}}]]
Solubility5
[[{{{Solvent5}}}]]
surface tension:
CMC
HLB
LogP
VaporPressure
HenryConstant
AtmosphericOHRateConstant
pKa
pKb
IsoelectricPt
LambdaMax
Absorbance
BandGap
ElectronMobility
SpecRotation
MagSus
ThermalConductivity
RefractIndex
Viscosity
CriticalRelativeHumidity
Dipole
OrbitalHybridisation
SpecificSurfaceArea
PoreVolume
AveragePoreSize
|
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Complete list
| Section3 = {{Chembox Structure
| Structure_ref =
| CrystalStruct =
| SpaceGroup =
| PointGroup =
| LattConst_a =
| LattConst_b =
| LattConst_c =
| LattConst_alpha =
| LattConst_beta =
| LattConst_gamma =
| LattConst_ref =
| LattConst_Comment =
| UnitCellVolume =
| UnitCellFormulas =
| Coordination =
| MolShape =
| OrbitalHybridisation =
| Dipole =
}}
|
{{Chembox Structure}}
Reference in header
Crystal structure
Space group (free text)
Point group
Lattice constant (a, b, c)
α, β, γ angles (don't add the ° sign)
Reference for the lattice values
Comment for lattice (any text)
Lattice volume
Number of formulas
Coordination geometry
Molecular geometry
Orbital hybridisation
Dipole moment
|
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|
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Complete list
Note: Add units like
kJ·mol<sup>−1</sup>
J·mol<sup>−1</sup>·K<sup>−1</sup>
|
|
|
|
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| Section6 = {{Chembox Pharmacology
| Pharmacology_ref =
| ATCCode_prefix =
| ATCCode_suffix =
| ATC_Supplemental =
| ATCvet =
| Licence_EU =
| Licence_US =
| Legal_status =
| Legal_AU =
| Legal_AU_comment =
| Legal_CA =
| Legal_CA_comment =
| Legal_NZ =
| Legal_NZ_comment =
| Legal_UK =
| Legal_UK_comment =
| Legal_US =
| Legal_US_comment =
| Legal_EU =
| Legal_EU_comment =
| Legal_UN =
| Legal_UN_comment =
| Pregnancy_category =
| Pregnancy_AU =
| Pregnancy_AU_comment =
| Pregnancy_US =
| Pregnancy_US_comment =
| Dependence_liability =
| Addiction_liability =
| AdminRoutes =
| Bioavail =
| ProteinBound =
| Metabolism =
| Metabolites =
| OnsetOfAction =
| HalfLife =
| DurationOfAction =
| Excretion =
}}
|
{{Chembox Pharmacology}}
Ordered as shown by template
Pharmacokinetics
|
- Complete list
|
|
|
---|
| Section7 = {{Chembox Hazards
| Hazards_ref =
<!-- (data page) -->
| ExternalSDS =
| GHSPictograms =
| GHSSignalWord =
| HPhrases =
| PPhrases =
| EUClass =
| RPhrases =
| SPhrases =
| RSPhrases =
| MainHazards =
| IngestionHazard =
| InhalationHazard =
| EyeHazard =
| SkinHazard =
| NFPA-F =
| NFPA-H =
| NFPA-R =
| NFPA-S =
| NFPA_ref =
| FlashPt =
| FlashPtC =
| FlashPt_notes =
| FlashPt_ref =
| AutoignitionPt =
| AutoignitionPtC =
| AutoignitionPt_ref=
| AutoignitionPt_notes=
| ExploLimits =
| TLV =
| TLV-TWA =
| TLV-STEL =
| TLV-C =
| LD50 =
| LDLo =
| LC50 =
| LCLo =
| PEL =
| REL =
| IDLH =
| NIOSH_id =
| NIOSH_ref =
}}
|
{{Chembox Hazards}} - complete list
link to (data page)#Safety data sheet
link to an external Material safety data sheet (MSDS)
Danger pictograms according to GHS
GHS Signal Word - See Category:GHS templates
GHS Hazard statements
GHS Precautionnary statements
Risk phrases (EU system)
Safety phrases (EU system)
Flammability by NFPA 704, red. See {{NFPA 704 diamond}} documentation
Health, blue. Health hazard code (0–4 or -)
Reactivity, yellow. Reactivity hazard code (0–4 or -)
Special hazards, white. Other hazard codes (like W, OX, RA, -. See list)
Reference for the NFPA fire diamond
Flash point, any text
Temperature, number in C. Can be a range: '50 to 60'. Also _PtF, _PtK. (see: temperatures)
Autoignition point, any text
Temperature, number in C. Can be a range: '50 to 60'. Also _PtF, _PtK. (see: temperatures)
PEL
Threshold Limit Value
Threshold Limit Value: Time Weighted Average
Threshold Limit Value: Short Time Exposure Limit
Lethal dose for half a population either by oral, dermal or intravenous
|
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All Related input creates a 'see also' list. It is good practice to use article links.
| Section8 = {{Chembox Related
| Related_ref =
| OtherAnions =
| OtherCations =
| OtherFunction =
| OtherFunction_label =
| OtherCompounds =
}}
|
{{Chembox Related}} - complete list
Ions
Ions
Label text: "Related {{{OtherFunction_label}}}"
Other compounds
|
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|
|
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| Section = {{Chembox Supplement
| data page pagename =
}}
|
{{Chembox Supplement}} - complete list
Set data page name, default is: Chembox (data page)
|
{{Chembox
| style-left-column-width =
| show_ss_note =
| general_note =
| show_infobox_ref =
<!-- bot maintained fields, do not edit -->
| Verifiedfields =
| verifiedrevid =
| Watchedfields =
}}
|
{{Chembox Footer}} - (Chembox internal only; parameters entered in main {{Chembox}})
Set lefthand text column width (default is 40%; see also 'width=' option in {{Chembox}})
Set '=no' will hide the standard state notice
Allows a general note in the bottom box
Set '=no' will hide the infobox reference notice
Bot maintained
Do not edit, add or remove these fields
|
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Chembox images ordering
|
row 1
|
ImageFile
|
row 2
|
ImageFile1
|
row 3
|
ImageFileL1 |
ImageFileR1
|
row 4
|
ImageFileL2 |
ImageFileR2
|
row 5
|
ImageFile2
|
row 6
|
ImageFile3
|
row 7
|
ImageFileL3 |
ImageFileR3
|
row 8
|
ImageFileL4 |
ImageFileR4
|
row 9
|
ImageFile4
|
{{Chembox
| Name =
<!-- Row 1/9 -->{{Chembox image
|ImageFile =
|ImageName =
|ImageSize =
|ImageAlt =
|ImageCaption =
}}
<!-- Row 2/9 -->{{Chembox image
|ImageFile1 =
|ImageName1 =
|ImageSize1 =
|ImageAlt1 =
|ImageCaption1 =
}}
<!-- Row 3/9 -->{{Chembox image sbs
|ImageFileL1 =
|ImageNameL1 =
|ImageSizeL1 =
|ImageAltL1 =
|ImageCaptionL1 =
|ImageFileR1 =
|ImageNameR1 =
|ImageSizeR1 =
|ImageAltR1 =
|ImageCaptionR1 =
}}
| ...(more Chembox parameters)
}}
|
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CASNo
{{{CASNo1|}}}{{{CASNo2|}}}{{{CASNo3|}}}{{{CASNo4|}}}{{{CASNo5|}}}
ChEBI
{{{ChEBI1|}}}{{{ChEBI2|}}}{{{ChEBI3|}}}{{{ChEBI4|}}}{{{ChEBI5|}}}
ChEMBL
{{{ChEMBL1|}}}{{{ChEMBL2|}}}{{{ChEMBL3|}}}{{{ChEMBL4|}}}{{{ChEMBL5|}}}
ChemSpiderID
{{{ChemSpiderID1|}}}{{{ChemSpiderID2|}}}{{{ChemSpiderID3|}}}
{{{ChemSpiderID4|}}} {{{ChemSpiderID5|}}}
DrugBank
{{{DrugBank1|}}}{{{DrugBank2|}}}{{{DrugBank3|}}}{{{DrugBank4|}}}{{{DrugBank5|}}}
IUPHAR_ligand
{{{IUPHAR_ligand1|}}}{{{IUPHAR_ligand2|}}}{{{IUPHAR_ligand3|}}}{{{IUPHAR_ligand4|}}}{{{IUPHAR_ligand5|}}}
Jmol
{{{Jmol1|}}}{{{Jmol2|}}}{{{Jmol3|}}}{{{Jmol4|}}}{{{Jmol5|}}}
KEGG
{{{KEGG1|}}}{{{KEGG2|}}}{{{KEGG3|}}}{{{KEGG4|}}}{{{KEGG5|}}}
PubChem
{{{PubChem1|}}}{{{PubChem2|}}}{{{PubChem3|}}}{{{PubChem4|}}}{{{PubChem5|}}}
UNII
{{{UNII1|}}}{{{UNII2|}}}{{{UNII3|}}}{{{UNII4|}}}{{{UNII5|}}}
InChI, InChIKey
{{{InChI1|}}}{{{InIKey1|}}}{{{InChI2|}}}{{{InChIKey2|}}}{{{InChI3|}}}{{{InChIKey3|}}}{{{InChI4|}}}{{{InChIKey4|}}}{{{InChI5|}}}{{{InChIKey5|}}}
SMILES
{{{SMILES1|}}}{{{SMILES2|}}}{{{SMILES3|}}}{{{SMILES4|}}}{{{SMILES5|}}}
}}
|
CASNo
ChEBI
ChEMBL
ChemSpiderID
DrugBank
IUPHAR_ligand
Jmol
KEGG
PubChem
UNII
InChI, InChIKey
SMILES
|
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Four or less parameters are needed to present temperature data:
|MeltingPt=Decomposes when >
|MeltingPtC=50
|MeltingPt_ref=<ref>[www.example.com]</ref>
|MeltingPt_notes=My notes<ref>[www.chemspider.com]</ref>
|
Decomposes when >_୫୦ °C (୧୨୨ °F; ୩୨୩ K)[1]_My notes[2]
|
The options for conversion:
|MeltingPtC=50
|MeltingPtF=50
|MeltingPtK=50
Temperature range:
|MeltingPtC=50 to 70
|MeltingPtF=50 to 70
|MeltingPtK=50 to 70
|
|
| Section = {{Chembox Properties
| MeltingPt =
| MeltingPtC =
| MeltingPtF =
| MeltingPtK =
| MeltingPt_ref =
| MeltingPt_notes =
| BoilingPt =
| BoilingPtC =
| BoilingPtF =
| BoilingPtK =
| BoilingPt_ref =
| BoilingPt_notes =
}}
|
{{Chembox Properties}} - all temperature parameters
Any text for melting point value
Temperature, number only. Can be a range: '100 to 200'
number, when in Fahrenheit
number, when in Kelvin
References (always shows, right after calculations or 'any text')
Notes (always shows last; can include references)
Any text for boiling point value
Temperature, number only. Can be a range: '100 to 200'
number, when in Fahrenheit
number, when in Kelvin
References (always shows, right after calculations or 'any text')
Notes (always shows last; can include references)
|
| Section = {{Chembox Hazards
| FlashPt =
| FlashPtC =
| FlashPtF =
| FlashPtK =
| FlashPt_ref =
| FlashPt_notes =
| AutoignitionPt =
| AutoignitionPtC =
| AutoignitionPtF =
| AutoignitionPtK =
| AutoignitionPt_ref =
| AutoignitionPt_notes =
}}
|
{{Chembox Hazards}} - all temperature parameters
Any text for Flash point value.
Temperature, number only. Can be a range: '100 to 200'
number, when in Fahrenheit
number, when in Kelvin
References (always shows, right after calculations or 'any text')
Notes (always shows last; can include references)
Any text for autoignition temperature value
Temperature, number only. Can be a range: '100 to 200'
number, when in Fahrenheit
number, when in Kelvin
References (always shows, right after calculations or 'any text')
Notes (always shows last; can include references)
|
|
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|
---|
Incomplete list
ATC and Drugbank: Parameters |ATC= and |Drugbank= can appear in only one section each:
- in
|Section1 = {{Chembox Identifiers |Drugbank = ...}}
- in
|Section2 = {{Chembox Pharamacology |ATCCode = ...}}
- Preferred alternative parameters
- Names: PIN_hidden, IUPACName_hidden (not used)
- Identifiers: EC-number → EC_number
- Identifiers: EINECS deprecated, can be used, same as EC_number
- Identifiers: CASNos → CASNoOther
- All eight similar: CASNos, ChEMBLs, ChemSpiderIDs, ChEbIs, InChIs, PubChems, SMILESs, UNIIs
- PubChem_Ref not used
- EINECSCASNO removed
- Explosive: ExplosiveV → DetonationV
- Pharma: ATCCode → split over ATCCode_prefix ATCCode_suffix (3 + 4 characters)
- Pharma: PregCat → Pregnancy_category
- Pharma: PregCat_AU, PregCat_US → Pregnancy_category_AU, Pregnancy_category_US
- Pharma: legal_XX → Legal_XX uppercase L
- Hazards: ExternalMSDS → ExternalSDS
- Hazards: NSFA_Ref → NSFA_ref
- Hazards: EUIndex removed from template
- Hazards: NFPA-O → NFPA-S (NFPA-704 Special, not Other)
- Thermodynamics: DeltaHf → DeltaHForm
- Thermodynamics: DeltaGf → DeltaGfree
- Thermodynamics: DeltaHc → DeltaHCombust
- Properties: MassRound → MolarMassRound (into regular name pattern)
- Properties: ExactMass not available in templatediscussed 2012
- Related function: OtherFunctn use OtherFunction
- Related function: Function use OtherFunction_label
- Related function: OtherCpds use OtherCompounds
- Parameters deprecated earlier: Section, Section10, ImageStyleN
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By {{Chembox}} and {{Infobox drug}} settings, a CheMoBot checks articles for parameter validation. The bot then adds and sets templates like {{cascite}} to the article.
A template like {{cascite}} is added and set by CheMoBot automatically after certain edits. Depending on the earlier data checks, the template will be marked "correct" or "changed" (i.e., to be checked). 'changed' articles are categorized for maintenance.
For example, when parameter |CASNo= is changed in the article, the bot sets |CASNo_Ref={{cascite|changed|??}} initially. See
See also: {{ Cascite}} documentation |
|
|