Template:Chembox
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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".
Usage
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 }} | (nextparameter)= <!-- etc. -->
Small, simple form
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 = }} }}
Medium form
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'' }} | data page pagename = <!-- Images --> | ImageFile = | ImageSize = | ImageAlt = | ImageName = | ImageClass = | ImageCaption = | ImageFile1 = | ImageSize1 = | ImageAlt1 = | ImageName1 = | ImageClass1 = | ImageCaption1 = | ImageFile2 = | ImageSize2 = | ImageAlt2 = | ImageName2 = | ImageClass2 = | ImageCaption2 = | ImageFile3 = | ImageSize3 = | ImageAlt3 = | ImageName3 = | ImageClass3 = | ImageFileL1 = | ImageSizeL1 = | ImageAltL1 = | ImageNameL1 = | ImageClassL1 = | ImageFileR1 = | ImageSizeR1 = | ImageAltR1 = | ImageNameR1 = | ImageClassR1 = | ImageFileL2 = | ImageSizeL2 = | ImageAltL2 = | ImageNameL2 = | ImageClassL2 = | ImageFileR2 = | ImageSizeR2 = | ImageAltR2 = | ImageNameR2 = | ImageClassR2 = <!-- Sections --> | Section1 = {{Chembox Identifiers | 3DMet = | Abbreviations = | Beilstein = | CASNo = | CASNo_Comment = | CASNoOther = | 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 = | ProteinBound = | Dependence_liability = }} | Section7 = {{Chembox Hazards | AutoignitionPt = | ExploLimits = | FlashPt = | LD50 = | LC50 = | MainHazards = | NFPA-H = | NFPA-F = | NFPA-I = | NFPA-S = | PEL = | REL = | ExternalSDS = | GHSPictograms = | GHSSignalWord = | HPhrases = | PPhrases = }} | Section9 = {{Chembox Related | OtherAnions = | OtherCations = | OtherFunction = | OtherFunction_label = | OtherCompounds = }} }}
. Reference, use<ref>...</ref>and add<references />to the page Title (default: article name) IUPAC name The preferred name The systematic name(s) Any other name(s) . . . . . A non-default data page name (default, eg for ammonia: "[[Ammonia (data page)]]") Like filename.svg (not [[file:filename.svg]]) Picture width (default=220px; example: ImageSize=100px) Alt text for picture (example: Fine dry white powder) Image link title Set this to "skin-invert" for black-on-transparent chemical diagrams 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 [1] EINECS, links to ecb, different URL [2] . . 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 description; optional. E.g. "Decomposes at" Temperature, number only. Can be a range: '100 to 200' . Notes on boiling point Density, including unit The molecular formula Henry's law constant (kH) Partition coefficient Molecular weight, including unit Melting point description; optional. E.g. "Decomposes at" Temperature, number only. Can be a range: '100 to 200' . 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 AU . Protein Bound . . {{Chembox Hazards }} Autoignition temperature Explosion limits Flash point LD50 LC50 Main hazards NFPA-H: Health hazard 0–4 (blue) NFPA-F: Fire hazard 0–4 (red) NFPA-I: Instability (reactivity) hazard 0–4 (yellow) (NFPA-R also allowed) NFPA-S: Special hazards (aka Other; white): W, OX, COR, ALK, ACID, CRYO, RA PEL URL for Safety data sheet . . HPhrases: use the {{H-phrases }} template for this PPhrases: use the {{P-phrases }} template for this . {{Chembox Related }}: related substances Other anions Other cations Other compounds with a given function The given function
Other compounds: adds a chemical 'see also' section
Full form
To use, simply copy and paste the left column into the document, and press save to get an empty Chembox:
|
Sections parameter lists may be incomplete
{{Chembox | Reference = <!-- Names --> | Name = | IUPACName = | SystematicName = | OtherNames = | data page pagename = <!-- Images --> | ImageFile = | ImageAlt = | ImageCaption = | ImageFile1 = | ImageAlt1 = | ImageCaption1 = | ImageClass1 = | ImageFile2 = | ImageAlt2 = | ImageCaption2 = | ImageClass2 = | ImageFile3 = | ImageAlt3 = | ImageCaption3 = | ImageClass3 = | ImageFileL1 = | ImageAltL1 = | ImageCaptionL1 = | ImageClassL1 = | ImageFileR1 = | ImageSizeR1 = | ImageAltR1 = | ImageCaptionR1 = | ImageClassR1 = | ImageFileL2 = | ImageAltL2 = | ImageCaptionL2 = | ImageClassL2 = | ImageFileR2 = | ImageSizeR2 = | ImageAltR2 = | ImageCaptionR2 = | ImageClassR2 = <!-- Style settings --> | width = <!-- Sections --> | Section1 = {{Chembox Identifiers | Abbreviations = | CASNo = | CASNo_Comment = | CASNo_Ref = | CASNoOther = | PubChem = | PubChem_Comment = | PubChem5 = | PubChem5_Comment = | PubChemOther = | ChemSpiderID = | ChemSpiderID_Comment = | ChemSpiderID5 = | ChemSpiderIDOther = | EINECS = | EC_number = | EC_number_Comment = | UNNumber = | DrugBank = | KEGG = | MeSHName = | ChEBI = | RTECS = | 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 = }} | 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-H = | NFPA-F = | NFPA-I = | NFPA-S = | ExternalSDS = | GHSPictograms = | GHSSignalWord = | HPhrases = | PPhrases = | FlashPt = | Autoignition = | ExploLimits = | LD50 = | PEL = }} | Section8 = {{Chembox Related | OtherAnions = | OtherCations = | OtherFunction_label = | OtherFunction = | OtherCompounds = }} }} Chembox: Template name
Section Identifiers: Standard numbers, etc.
Section Properties: Physical properties
Section Structure: Crystal structure information
Section Thermochemistry: Thermochemical properties
Section Pharmacology: Pharmacology/drug data
Section Explosive: Explosive properties
Section Hazards: Hazards
Section Supplement: Separate data page
Section Related: Related compounds, etc.
-end |
Indexed parameters
| CASNo = | CASNo1 = | CASNo2 = | CASNo3 = | CASNo4 = | CASNo5 = | CASNoOther =
Indexed parameters
|
|---|
|
Overview | 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 = | 3DMet= | 3DMet1= | 3DMet5= | 3DMetOther= | EC_number1= | EC_number5= | EC_numberOther= | RTECS1= | RTECS5= | RTECSOther= |
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, 3DMet, EC_number, RTECS
- Then
|_Other=(like|CASNoOther=) is available for free text input.
Same substance, same index
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
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 | CASNo_Ref = {{cascite|correct|CAS}} | PubChem = 6549 | PubChem1 = 443158 | PubChem2 = 67179 }} }}
| Identifiers | |
|---|---|
| |
PubChem CID
|
|
- For specific additions, each parameter has a
|_Comment=option.
| CASNo_Comment = | CASNo1_Comment = | CASNo5_Comment =
- Use of the
|CASNo_Ref={{cascite|correct|CAS}}parameter with argument places a small, green check mark, checkY , after the CAS No., which indicates that an editor has confirmed that the CAS No. is correct. A red x in an infobox that follows any identifier means it has not been verified. See WP:CHEMVAL for more details.
Section subtemplates
The following section subtemplates are available:
- {{Chembox Identifiers }}
- {{Chembox Properties }}
- {{Chembox Structure }}
- {{Chembox Thermochemistry }}
- {{Chembox Explosive }}
- {{Chembox Pharmacology }}
- {{Chembox Hazards }}
- {{Chembox Related }}
And the automated section, that is visible when 'pagename (data page)' exists:
- {{Chembox Supplement }}
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.
Container only
{{Chembox}} can be used to show a subsection only, for example Section3={{Chembox Hazards|...}}. When set |container_only=yes: The main {{Chembox}} is not tracked at all (image checks, bot validation categories, etc.), and the Footer (with STP notice) is suppressed. Example: Bromine#Biological role and toxicity. The article will be listed in Category:Chembox container only (51).
Automatic generation
The Wikipedia Drugbox and Chembox Maker can be used to automatically generate chembox templates. For quicker access, this tool can be added to the tools section of Wikipedia's left sidebar via User:Qwerfjkl/scripts/chemboxmaker. The Wikipedia template filling tool by Diberri and Boghog is another option for automatic chembox generation but fills fewer fields.
Adding images
Parameters
Image parameters for the first images:
{{Chembox <!-- Other chembox parameters can go here --> <!-- Row 1/7 --> | ImageFile = | ImageName = | ImageSize = | ImageAlt = | ImageCaption = | ImageFile_Ref = | ImageClass = <!-- Row 2/7 --> | ImageFile1 = | ImageName1 = | ImageSize1 = | ImageAlt1 = | ImageCaption1 = | ImageFile1_Ref = | ImageClass1 = <!-- Row 3/7 --> | ImageFileL1 = | ImageNameL1 = | ImageSizeL1 = | ImageAltL1 = | ImageCaptionL1 = | ImageFileL1_Ref= | ImageClassL1 = | ImageFileR1 = | ImageNameR1 = | ImageSizeR1 = | ImageAltR1 = | ImageCaptionR1 = | ImageFileR1_Ref= | ImageClassR1 = | ImageCaptionL1R1= <!-- More chembox parameters can go here, like |Section1=... --> }}
Examples
Image parameters for an image (example: File1). All are optional.
Chembox
{{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 = | ImageFile1_Ref = ref | ImageClass1 = skin-invert <!-- Use this for black-on-transparent chemical diagrams --> }}
Adding three images:
Chembox
{{Chembox | ImageFile = Suvorexant.svg | ImageClass = skin-invert | ImageAlt = Skeleton formula of suvorexant | ImageFile1 = Suvorexant-from-xtal-Mercury-3D-bs.png | ImageClass1 = bg-transparent | ImageAlt1 = Ball-and-stick model of the same molecule | ImageFile2 = Suvorexant-from-xtal-Mercury-3D-sf.png | ImageClass2 = bg-transparent | ImageAlt2 = 3D filled-sphere model of the same molecule }}
This gives three images, each image on his own row (note, ImageFile is the first image, ImageFile1 is the second, ImageFile2 is the third).
Adding two images, side by side (L1 and R1):
Chembox
{{Chembox | ImageFileL1 = Taurin.svg | ImageClassL1 = skin-invert | ImageAltL1 = Skeleton formula of taurine | ImageFileR1 = Taurine-from-xtal-Mercury-3D-balls.png | ImageClassR1 = bg-transparent | ImageAltR1 = Ball-and-stick model of the same molecule }}
This gives one row with two images. Note that ImageFile is now not supplied.
Multiple images
This gives the possibility to play a bit with which image is first (rows with empty parameters are not displayed). Example:
Chembox
{{Chembox | ImageFileL1 = Hydralazine.svg | ImageAltL1 = Skeleton formula of a fused benzene and pyridazine ring, with a hydrazine (-NH-NH2) group attached to the 3-position of the pyridazine ring | ImageClassL1 = skin-invert | ImageFileR1 = Hydralazine-based-on-xtals-3D-bs-17.png | ImageClassR1 = bg-transparent | ImageAltR1 = Ball-and-stick model of the same molecule | ImageFile2 = Hydralazine-3D-spacefill.png | ImageClass2 = bg-transparent | ImageAlt2 = Ball-and-stick model of the same molecule | IUPACName = example }}
This gives one row with two images, and one row with one image.
Names
{{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)
Example
| Names | |
|---|---|
| IUPAC names
A, B
| |
| Preferred IUPAC name
PIN | |
| Systematic IUPAC name
SYS | |
Other names
|
{{Chembox | Name = ''cis''-3-Hexen-1-ol | IUPACNames = A, B | PIN = PIN | SystematicName = SYS | OtherNames = {{Unbulleted list|X|Y|Z}} | show_footer = no }}
Input from Wikidata
- E number (P628) (see uses )
- ECHA Substance Infocard ID (P2566) (see uses )
- DSSTox substance ID (P3117) (see uses )
E number, ECHA InfoCard ID, |DTXSID= (CompTox Chemicals Dashboard) are read from Wikidata.
Maintenance
Troubleshooting
- 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
TemplateData
TemplateData for Chembox
|
An infobox for chemicals. It has a large number of options to add relevant data and images. 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). Please see this template's page for full documentation.
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See also
- {{Infobox drug }} (aka Drugbox)
- Wikipedia Drugbox and Chembox Maker
Editors can experiment in this template's sandbox (edit | diff) and testcases (edit) pages.
Add categories to the /doc subpage. Subpages of this template.