Except where otherwise noted, data are given for materials in their standard state (at 25 °C ※, 100 kPa).
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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 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 |
Full form
To use, simply copy and paste the left column into the document, and press save to get an empty Chembox:
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Sections parameter lists may be incomplete
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Indexed parameters
| CASNo = | CASNo1 = | CASNo2 = | CASNo3 = | CASNo4 = | CASNo5 = | CASNoOther =
Indexed parameters
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|---|
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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=
By using parameter like |index2_label=, you can prefix every #2-input with that same prefix.
{{chembox | Name = ※] |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
|
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| CASNo_Comment = | CASNo1_Comment = | CASNo5_Comment =
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:
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 (47).
Automatic generation
The XIV 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 XIV's left sidebar via User:Qwerfjkl/scripts/chemboxmaker. The XIV 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=... --> }}
Image parameters for an image (example: File1). All are optional.
 A caption shows here
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{{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 --> }}
{{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 | ImageClass = skin-invert | 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).
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 |
{{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 | ImageClassL1 = skin-invert | 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.
| row 1 | ImageFile | |
| row 2 | ImageFile1 | |
| row 3 | ImageFileL1 | ImageFileR1 |
| row 4 | ImageFile2 | |
| row 5 | ImageFileL2 | ImageFileR2 |
| row 6 | ImageFile3 | |
| row 7 | ImageFileL3 | ImageFileR3 |
This gives the possibility to play a bit with which image is first (rows with empty parameters are not displayed). Example:
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| |||
| Names | |||
|---|---|---|---|
| IUPAC name
example
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{{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 | ImageClassR1 = skin-invert | 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) |
Example
| Names | |
|---|---|
| IUPAC names
A, B
| |
| Preferred IUPAC name
PIN | |
| Systematic IUPAC name
SYS | |
Other names
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{{Chembox | Name = ''cis''-3-Hexen-1-ol | IUPACNames = A, B | PIN = PIN | SystematicName = SYS | OtherNames = {{Unbulleted list|X|Y|Z}} | show_footer = no }}
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
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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)
- XIV 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.
Text is available under the Creative Commons Attribution-ShareAlike License. Additional terms may apply.
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