Template:Chembox
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 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 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 in three example layouts: § Small, simple form, § Medium form and § Large form.
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 = <!-- Reference, use {{tag|ref}} and add {{tag|references|e}} to the page -->
<!-- Names -->
| Name = <!-- Title (default: article name) -->
| IUPACName = <!-- IUPAC name -->
| PIN = <!-- The preferred name -->
| SystematicName = <!-- The systematic name(s) -->
| OtherNames = {{Unbulleted list <!-- Any other name(s) -->
| ''name1''
| ''name2''
...
| ''name50''
}}
| data page pagename = <!-- A non-default data page name (default, eg for ammonia: "[[Ammonia (data page)]]") -->
<!-- Images -->
| ImageFile = <!-- Like filename.svg (not [[file:filename.svg]]) -->
| ImageSize = <!-- Picture width (default=220px; example: ImageSize=100px) -->
| ImageAlt = <!-- Alt text for picture (example: Fine dry white powder) -->
| ImageName = <!-- Image link title -->
| ImageClass = <!-- Set this to "skin-invert" for black-on-transparent chemical diagrams -->
| ImageCaption = <!-- Picture caption (example: Oxygen in liquid form) -->
| ImageFile1 = | ImageSize1 = | ImageAlt1 = | ImageName1 = | ImageClass1 = | ImageCaption1 =
| ImageFileL1 = | ImageSizeL1 = | ImageAltL1 = | ImageNameL1 = | ImageClassL1 =
| ImageFileR1 = | ImageSizeR1 = | ImageAltR1 = | ImageNameR1 = | ImageClassR1 =
<!-- Sections -->
| Section1 = {{Chembox Identifiers <!-- {{Chembox Identifiers}} -->
| Abbreviations = <!-- Any abbreviations -->
| CASNo = <!-- CAS Number, links to eMolecules -->
| ChEBI = <!-- ChEBI, links to EBI -->
| EINECS = <!-- EINECS, links to ecb; URL is [http://ecb.jrc.it/esis/index.php?GENRE=ECNO&ENTREE=] -->
| EC_number = <!-- EINECS, links to ecb, different URL [http://ecb.jrc.it/esis/index.php?GENRE=CASNO&ENTREE=] -->
| InChI = <!-- InChI, no link -->
| KEGG = <!-- KEGG, links to genome.ad.jp -->
| MeSHName = <!-- Medical Subject Headings, links to NIH -->
| PubChem = <!-- PubChem, links to pubchem -->
| RTECS = <!-- RTECS, no link -->
| SMILES = <!-- SMILES, no link -->
}}
| Section2 = {{Chembox Properties <!-- {{Chembox Properties}}: physical properties -->
| AtmosphericOHRateConstant = <!-- Atmospheric OH rate constant -->
| Appearance = <!-- Its appearance -->
| BoilingPt = <!-- Boiling point description; optional. E.g. "Decomposes at" -->
| BoilingPtC = <!-- Temperature, number only. Can be a range: '100 to 200' -->
| BoilingPt_notes= <!-- Notes on boiling point -->
| Density = <!-- Density, including unit -->
| Formula = <!-- The molecular formula -->
| HenryConstant = <!-- Henry's law constant (kH) -->
| LogP = <!-- Partition coefficient -->
| MolarMass = <!-- Molecular weight, including unit -->
| MeltingPt = <!-- Melting point description; optional. E.g. "Decomposes at" -->
| MeltingPtC = <!-- Temperature, number only. Can be a range: '100 to 200' -->
| MeltingPt_notes= <!-- Notes on melting point -->
| Solubility = <!-- Solubility in water -->
| SolubleOther = <!-- Solubility in other solvents, goes together with next -->
| Solvent = <!-- In which solvent it is soluble -->
| VaporPressure = <!-- Vapor pressure -->
}}
| Section3 = {{Chembox Structure <!-- {{Chembox Structure}}: crystal structure -->
| Coordination = <!-- Coordination -->
| CrystalStruct = <!-- Crystal structure -->
| MolShape = <!-- Molecular shape -->
}}
| Section4 = {{Chembox Thermochemistry <!-- {{Chembox Thermochemistry}} -->
| DeltaGf = | DeltaHc = | DeltaHf = | Entropy = | HeatCapacity =
}}
| Section5 = {{Chembox Explosive <!-- {{Chembox Explosive}} -->
| ShockSens = <!-- [[Shock sensitivity]] -->
| FrictionSens = <!-- [[Friction sensitivity]] -->
| DetonationV = <!-- [[Explosive velocity]] -->
| REFactor = <!-- [[Relative effectiveness factor]] -->
}}
| Section6 = {{Chembox Pharmacology <!-- {{Chembox Pharmacology}}: drug data -->
| ATCvet = <!-- ATCvet=yes if the next two parameters define an ATCvet code -->
| ATCCode_prefix = <!-- ATCCode prefix (first three characters, omit the leading Q for ATCvet codes) -->
| ATCCode_suffix = <!-- ATCCode suffix (last 4 characters), full ATC links to WHO C.C. -->
| ATC_Supplemental= <!-- Other ATC codes (use the {{ATC}} and/or {{ATCvet}} templates) -->
| AdminRoutes = | Bioavail = | Excretion = | HalfLife = | Metabolism =
| Legal_status = <!-- Legal status -->
| Legal_AU = | Legal_CA = | Legal_NZ = | Legal_US = | Legal_UK = | Legal_EU = | Legal_UN =
| Pregnancy_category = <!-- Pregnancy Category -->
| Pregnancy_AU = <!-- Pregnancy Category in AU -->
| ProteinBound = <!-- Protein Bound -->
}}
| Section7 = {{Chembox Hazards <!-- {{Chembox Hazards}} -->
| AutoignitionPt = <!-- Autoignition temperature -->
| ExploLimits = <!-- Explosion limits -->
| FlashPt = <!-- Flash point -->
| LD50 = | LC50 = | MainHazards = <!-- Main hazards -->
| NFPA-H = <!-- [[NFPA 704|NFPA]]-H: Health hazard 0–4 ([[NFPA 704#blue|blue]]) -->
| NFPA-F = <!-- NFPA-F: Fire hazard 0–4 ([[NFPA 704#red|red]]) -->
| NFPA-I = <!-- NFPA-I: Instability hazard 0–4 ([[NFPA 704#yellow|yellow]]) -->
| NFPA-S = <!-- NFPA-S: Special hazards ([[NFPA 704#white|white]]): W, OX, COR, ALK, ACID, CRYO, RA -->
| PEL = | REL = | ExternalSDS = <!-- URL for [[Safety data sheet]] -->
| HPhrases = <!-- HPhrases: use the {{H-phrases}} template for this -->
| PPhrases = <!-- PPhrases: use the {{P-phrases}} template for this -->
}}
| Section9 = {{Chembox Related <!-- {{Chembox Related}}: related substances -->
| OtherAnions = | OtherCations =
| OtherFunction = <!-- Other compounds with a given function -->
| OtherFunction_label = <!-- The given function -->
| OtherCompounds = <!-- 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:
{{Chembox <!-- Chembox: Template name -->
| Reference = <!-- reference; include <ref> </ref>s, add <references/> to the page – also used to indicate whether or not identifiers have been confirmed -->
<!-- Names -->
| Name = <!-- title above the box (DEFAULT: article name) -->
| IUPACName = <!-- the IUPAC name -->
| SystematicName = <!-- the systematic name -->
| OtherNames = <!-- any other name -->
| data page pagename = <!-- data page pagename -->
<!-- Images -->
| ImageFile = <!-- filename.svg (not [[image:filename.svg]]) -->
| ImageAlt = <!-- alt text for picture (example: Fine dry white powder) -->
| ImageCaption = <!-- Picture caption (example: Oxygen in liquid form) -->
| ImageFile1 =
| ImageAlt1 =
| ImageCaption1 =
| ImageClass1 = <!-- Picture class ([[WP:NOTPAGEIMAGE|notpageimage]] and/or [[WP:SKININVERT|skin-invert]] or bg-transparent) -->
| ImageFile2 =
| ImageAlt2 =
| ImageCaption2 =
| ImageClass2 =
| ImageFile3 =
| ImageAlt3 =
| ImageCaption3 =
| ImageClass3 =
| ImageFileL1 =
| ImageAltL1 =
| ImageCaptionL1 =
| ImageClassL1 =
| ImageFileR1 =
| ImageSizeR1 = <!-- picture size (example: ImageSize = 100px, default = 200px) -->
| ImageAltR1 =
| ImageCaptionR1 =
| ImageClassR1 =
| ImageFileL2 =
| ImageAltL2 =
| ImageCaptionL2 =
| ImageClassL2 =
| ImageFileR2 =
| ImageSizeR2 =
| ImageAltR2 =
| ImageCaptionR2 =
| ImageClassR2 =
<!-- Style settings -->
| width =
<!-- Sections -->
| Section1 = {{Chembox Identifiers <!-- Section Identifiers: Standard numbers, etc. -->
| Abbreviations = <!-- any abbreviations -->
| CASNo = <!-- CAS Number: links to eMolecules (http://www.commonchemistry.org/) -->
| CASNo_Comment =
| CASNo_Ref = <!-- Reference -->
| CASNoOther =
| PubChem = <!-- PubChem: links to https://pubchem.ncbi.nlm.nih.gov; up to 5 numbers -->
| PubChem_Comment = <!-- PubChem_Comment: comment at the number -->
| PubChem5 =
| PubChem5_Comment =
| PubChemOther = <!-- PubChemOther: for other information -->
| ChemSpiderID = <!-- ChemSpider: links to http://www.chemspider.com; up to 5 numbers -->
| ChemSpiderID_Comment =
| ChemSpiderID5 =
| ChemSpiderIDOther =
| EINECS = <!-- EINECS: links to ecb; URL is http://ecb.jrc.it/esis/index.php?GENRE = ECNO&ENTREE = -->
| EC_number = <!-- also EINECS, but URL is http://ecb.jrc.it/esis/index.php?GENRE = CASNO&ENTREE = -->
| EC_number_Comment =
| UNNumber =
| DrugBank =
| KEGG = <!-- KEGG: links to genome.ad.jp -->
| MeSHName = <!-- Medical Subject Headings: links to NIH -->
| ChEBI = <!-- ChEBI: links to EBI -->
| RTECS = <!-- RTECS: no link -->
| SMILES = <!-- SMILES: no link -->
| InChI = <!-- InChI: no link -->
| Beilstein =
| Gmelin =
| 3DMet =
}}
| Section2 = {{Chembox Properties <!-- Section Properties: Physical properties -->
| Properties_ref = <!-- Reference -->
| Formula = <!-- Chemical formula -->
| Formula_ref = <!-- Reference -->
| Formula_Comment =
| C= | H= | N= <!-- per element (alternative input) (etc) -->
| Formula_Charge = <!-- Molecular charge -->
| MolarMass = <!-- Molecular weight, including unit -->
| MolarMassRound =
| MolarMass_ref = <!-- Reference -->
| MolarMass_notes =
| Appearance =
| Odor = | Odour =
| Density = <!-- Density, including unit -->
| MeltingPt = <!-- Melting point description; optional. E.g. "Decomposes at" -->
| MeltingPtC = <!-- Number, in Celsius. Is converted to F and K -->
| MeltingPtF = <!-- Number, in Fahrenheit. Is converted to C and K -->
| MeltingPtK = <!-- Number, in Kelvin. Is converted to C and F -->
| MeltingPt_ref = <!-- Reference -->
| MeltingPt_notes =
| BoilingPt = <!-- Boiling point description; optional. E.g. "Decomposes at" -->
| BoilingPtC = <!-- Number, in Celsius. Is converted to F and K -->
| BoilingPtF = <!-- Number, in Fahrenheit. Is converted to C and K -->
| BoilingPtK = <!-- Number, in Kelvin. Is converted to C and F -->
| BoilingPt_ref = <!-- Reference -->
| BoilingPt_notes =
| CriticalTP = <!-- [[Critical temperature and pressure]], including units -->
| SublimationConditions =
| Solubility = <!-- Solubility in water ([[Aqueous solution]]) -->
| SolubilityProduct =
| SolubilityProductAs =
| SolubleOther =
| Solvent =
| Solubility1 =
| Solvent1 =
| Solubility2 =
| Solvent2 =
| Solubility3 =
| Solvent3 =
| Solubility4 =
| Solvent4 =
| Solubility5 =
| Solvent5 =
| Solubility6 =
| Solvent6 =
| CMC = <!-- [[Critical micelle concentration]], including unit -->
| HLB = <!-- [[Hydrophilic-lipophilic balance]], including unit -->
| LogP = <!-- [[Partition coefficient]] -->
| VaporPressure = <!-- [[Vapor pressure]], including unit -->
| HenryConstant = <!-- Henry's law constant (kH) -->
| AtmosphericOHRateConstant = <!-- Atmospheric OH rate constant -->
| pKa =
| pKb =
| ConjugateAcid = <!-- [[Conjugate acid]] -->
| ConjugateBase = <!-- [[Conjugate base]] -->
| IsoelectricPt = <!-- [[Isoelectric point]] (pI) -->
| ElectricalResistivity =
| LambdaMax =
| Absorbance =
| BandGap =
| ElectronMobility =
| SpecRotation =
| MagSus = <!-- [[Magnetic susceptibility]], including unit -->
| ThermalConductivity = <!-- [[Thermal conductivity]], including unit -->
| RefractIndex = <!-- [[Refractive index]] -->
| Viscosity = <!-- [[Viscosity]], including unit -->
| CriticalRelativeHumidity =
| Dipole =
| OrbitalHybridisation =
| SpecificSurfaceArea =
| PoreVolume =
| AveragePoreSize =
}}
| Section3 = {{Chembox Structure <!-- Section Structure: Crystal structure information -->
| Structure_ref = <!-- Reference in header -->
| CrystalStruct = <!-- Crystal structure -->
| SpaceGroup = <!-- [[Space group]] (free text) -->
| PointGroup = <!-- [[Molecular symmetry]] "Point group" -->
| LattConst_a = <!-- [[Lattice constant]] (a, b, c) -->
| LattConst_b =
| LattConst_c =
| LattConst_alpha = <!-- α, β, γ angles (don't add the ° sign) -->
| LattConst_beta =
| LattConst_gamma =
| LattConst_ref = <!-- Reference for the lattice values -->
| LattConst_Comment = <!-- Comment for lattice (any text) -->
| UnitCellVolume = <!-- Lattice volume -->
| UnitCellFormulas = <!-- Number of formulas -->
| Coordination = <!-- Coordination geometry -->
| MolShape = <!-- Molecular geometry -->
| OrbitalHybridisation = <!-- [[Orbital hybridisation]] -->
| Dipole = <!-- [[Dipole|Dipole moment]] -->
}}
| Section4 = {{Chembox Thermochemistry <!-- Section Thermochemistry: Thermochemical properties -->
| Thermochemistry_ref = <!-- Header reference -->
| HeatCapacity = <!-- [[Specific heat capacity]] -->
| Entropy = <!-- [[Standard molar entropy]] -->
| DeltaHform = <!-- [[Standard enthalpy change of formation]] -->
| DeltaGfree = <!-- [[Gibbs energy|Gibbs free energy]] -->
| DeltaHcombust = <!-- [[Standard enthalpy change of combustion]] -->
| DeltaHfus = <!-- [[Enthalpy of fusion]] -->
| DeltaHvap = <!-- [[Enthalpy of vaporization]] -->
| DeltaHsublim = <!-- [[Enthalpy of sublimation]] -->
| HHV = <!-- [[Heat of combustion#Higher heating value]] -->
| LHV = <!-- [[Heat of combustion#Lower heating value]] -->
}}
| Section5 = {{Chembox Explosive <!-- Section Explosives: Explosive properties -->
| Explosive_ref = <!-- Header reference -->
| ShockSens = <!-- [[Shock sensitivity]] -->
| FrictionSens = <!-- [[Friction sensitivity]] -->
| DetonationV = <!-- [[Detonation velocity]] -->
| REFactor = <!-- [[Relative effectiveness factor]] -->
}}
| Section6 = {{Chembox Pharmacology <!-- Section Pharmacology: Pharmacological properties -->
| Pharmacology_ref = <!-- Reference -->
| ATCCode_prefix = <!-- ATCCode prefix (first three characters, omit the leading Q for ATCvet codes) -->
| ATCCode_suffix = <!-- ATCCode suffix (last 4 characters), full ATC links to WHO C.C. -->
| ATC_Supplemental = <!-- Other ATC codes (use the {{ATC}} and/or {{ATCvet}} templates) -->
| ATCvet = <!-- ATCvet=yes if the next two parameters define an ATCvet code -->
| Drug_class =
| Licence_EU =
| INN =
| INN_EMA =
| Licence_US =
| Legal_status =
| Legal_AU = <!-- S2, S3, S4, S5, S6, S7, S8, S9 or Unscheduled -->
| Legal_AU_comment =
| Legal_BR = <!-- OTC, A1, A2, A3, B1, B2, C1, C2, C3, C5, D1, D2, E, F1, F2, F3, F4 -->
| Legal_BR_comment =
| Legal_CA = <!-- OTC, Rx-only, Schedule I, II, III, IV, V, VI, VII, VIII -->
| Legal_CA_comment =
| Legal_NZ = <!-- Class A, B, C -->
| Legal_NZ_comment =
| Legal_UK = <!-- GSL, P, POM, CD, CD Lic, CD POM, CD No Reg POM, CD (Benz) POM, CD (Anab) POM or CD Inv POM / Class A, B, C -->
| Legal_UK_comment =
| Legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V -->
| Legal_US_comment =
| Legal_EU =
| Legal_EU_comment =
| Legal_UN = <!-- N I, II, III, IV / P I, II, III, IV -->
| Legal_UN_comment =
| Pregnancy_category =
| Pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
| Pregnancy_AU_comment =
| Dependence_liability =
| AdminRoutes =
| Bioavail =
| ProteinBound =
| Metabolism =
| Metabolites =
| OnsetOfAction =
| HalfLife =
| DurationOfAction =
| Excretion =
}}
| Section7 = {{Chembox Hazards <!-- Section Hazards: Hazards -->
| Hazards_ref =
| GHS_ref = <!-- [[Globally Harmonized System of Classification and Labelling of Chemicals|GHS]] reference (e.g. [[:Template:Sigma-Aldrich]]) -->
| GHSPictograms = <!-- [[GHS hazard pictograms|GHS pictograms]]. Use [[:Category:GHS templates|GHS templates]], e.g., ={{GHS01}}{{GHS07}} -->
| GHSSignalWord = <!-- GHS signal word ("Danger", "Warning") -->
| HPhrases = <!-- [[GHS hazard statements]]. Use {{H-phrases}} -->
| PPhrases = <!-- [[GHS precautionary statements]]. Use {{P-phrases}} -->
| OHS_ref = <!-- Reference -->
| MainHazards =
| IngestionHazard =
| InhalationHazard =
| EyeHazard =
| SkinHazard =
| NFPA-H = <!-- {{tl|NFPA 704 diamond}}: Health (blue) hazard code (0–4 or -) -->
| NFPA-F = <!-- Flammability (red) hazard code (0–4 or -) -->
| NFPA-I = <!-- Instability–reactivity (yellow) hazard code (0–4 or -). Alias: NFPA-R= -->
| NFPA-S = <!-- Special hazards (white). See {{NFPA 704 diamond}} -->
| NFPA_ref = <!-- Reference for the NFPA fire diamond -->
| FlashPt = <!-- Flash point, any text -->
| FlashPtC = <!-- Number, in Celsius. Can be a range: '50 to 60'. Is converted to F and K. -->
| FlashPtF = <!-- Number, in Fahrenheit. Can be a range: '50 to 60'. Is converted to C and K. -->
| FlashPtK = <!-- Number, in Kelvin. Can be a range: '50 to 60'. Is converted to C and F. -->
| FlashPt_notes =
| FlashPt_ref = <!-- Reference -->
| AutoignitionPt = <!-- Autoignition point, any text -->
| AutoignitionPtC = <!-- Number, in Celsius. Can be a range: '50 to 60'. Is converted to F and K. -->
| AutoignitionPtF = <!-- Number, in Fahrenheit. Can be a range: '50 to 60'. Is converted to C and K. -->
| AutoignitionPtK = <!-- Number, in Kelvin. Can be a range: '50 to 60'. Is converted to C and F. -->
| AutoignitionPt_ref = <!-- Reference -->
| AutoignitionPt_notes =
| ExploLimits =
| TLV = <!-- [[Threshold limit value]] -->
| TLV-TWA = <!-- Threshold limit value: [[Permissible exposure limit|time-weighted average]] -->
| TLV-STEL = <!-- Threshold limit value: [[short-term exposure limit]] -->
| TLV-C = <!-- Threshold limit value: ceiling limit -->
| LD50 = <!-- Lethal dose, 50% ([[median lethal dose]]). Specify species and method, e.g., 950mg/kg (rat, oral) -->
| LDLo = <!-- [[Lethal dose#Lowest lethal dose|Lowest lethal dose]] -->
| LC50 = <!-- Lethal concentration, 50% ([[Median lethal dose|median lethal concentration]]) -->
| LCLo = <!-- [[Lethal dose#Lowest lethal concentration|Lowest lethal concentration]] -->
| PEL = <!-- [[Permissible exposure limit]] -->
| REL = <!-- [[Recommended exposure limit]] -->
| IDLH = <!-- [[Immediately dangerous to life or health]] value -->
| NIOSH_id =
| NIOSH_ref = <!-- Reference -->
<!-- (data page) -->
| ExternalSDS = <!-- Link to an external [[safety data sheet]] -->
}}
| Section8 = {{Chembox Related <!-- Section Related: Related compounds, etc. -->
| OtherAnions = <!-- Other Anions -->
| OtherCations = <!-- Other Cations -->
| OtherFunction_label = <!-- Function: the function -->
| OtherFunction = <!-- Other Function: works with the next field -->
| OtherCompounds = <!-- Other Compounds: chemical 'see also' section -->
}}
}}
|
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,
, 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:
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}}
| Section8 = {{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 (54).
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.
A caption shows here
|
{{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
| 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
| 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
| 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:
|
| |||
| Names | |||
|---|---|---|---|
| IUPAC name
example
| |||
{{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 = <!-- Infobox title (Pagetitle is default) -->
| IUPACName = <!-- IUPAC name -->
| IUPACNames = <!-- Using -s makes section header plural -->
| PIN = <!-- Preferred IUPAC name -->
| SystematicName = <!-- Systematic IUPAC name -->
| OtherNames = <!-- List of all other name(s) -->
<!-- other parameters -->
}}
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
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