Manual of Style
Chemistry
Article titles Chemboxes Chemicals Compound classes InChI Nomenclature Structure drawing Safety References and external links
Categories
Templates (citation)

WP:CHEMBOX

This page presents several chemical infoboxes to present chemical compound data in a standardised form. They are to be used on all chemical articles, and as such are actively being used in the WikiProject Chemicals.

Reliability of data[edit]

These tables are constructed by experts in the field of chemical sciences, as well as amateurs and may have been edited by less-knowledgeable passers-by or vandals. Although these tables are well designed, and useful to present the relevant chemical data, the accuracy of information they contain cannot be guaranteed. This also applies to the information in the Hazards section, which is provided for reference value only. When handling chemicals, always take the proper precautions as defined also by reliable sources of information, particularly safety data sheets (SDSs) supplied by the manufacturer and/or relevant government agency. Also see Wikipedia:General disclaimer.

All data as presented in these tables are for materials in their standard state, which is defined to be 25 °C and 100 kPa, unless other conditions are explicitly indicated.

How to use these infoboxes[edit]

These templates are for creating new infoboxes in wikipages which have no (current) infobox yet. The following steps indicate how to do this.

Edit the chemicals article to add the infobox to
Copy and paste one of the following three templates listed in ((Chembox)).
Fill in the details; empty fields are okay.

See What links here in the toolbox on this wikipage, and the Chemicals WikiProject worklist to find wikipages as examples of use.

Risk and safety statements

Use H-phrases and P-phrases templates to provide popup explanations of their meanings. R and S phrases are long obsolete.

Supplementary data page

If using the full Chembox, a supplementary page should be created as soon as time allows. This is most simply done by clicking on the red link in the table Supplementary data page, then type ((subst:Chembox supplement)). Save the page, then edit to enter the information.

Validation

A bot tracks these infoboxes to validate certain data (like CAS RN), and to track changes to usually stable values (like melting point).

See WP:CHEMVAL.

Automatic generation[edit]

Chemboxes (as well as drugboxes) can be automatically generated using the following tool: Wikipedia Drugbox and Chembox Maker.

References[edit]

On-line databases

"Reaxys". Elsevier.
"SciFinder". Chemical Abstracts Service.
"ASTM International - Standards Worldwide". American Society for Testing and Materials (ASTM).
"EINECS". European INventory of Existing Commercial chemical Substances.
"NIST Chemistry WebBook". National Institute of Standards and Technology. United States Department of Commerce.
"ChemBioFinder". PerkinElmer.
"ChemSpider". The Royal Society of Chemistry.
"Crystal Structure Catalogue". Ratio International Corporation.
"New Semiconductor Materials. Characteristics and Properties". Ioffe Institute Databases.
"Spectral Database for Organic Compounds (SDBS)". National Institute of Advanced Industrial Science and Technology (AIST), Japan.

Monographs and journal articles

Haynes WM (2015). CRC Handbook of Chemistry and Physics (96th ed.). Boca Raton, FL: CRC Press. ISBN 978-1-4822-6096-0.
Gahan L, Blackman A (2014). Aylward and Findlay's SI Chemical Data (7th ed.). Australia: John Wiley & Sons. ISBN 978-0-7303-0246-9.
Greenwood N, Earnshaw A (2006). Chemistry of the Elements (2nd ed.). Oxford: Butterworth-Heinemann. ISBN 978-0-7506-3365-9.
Wells AF (2012). Structural Inorganic Chemistry (5th ed.). Oxford, UK: Oxford University Press. ISBN 978-0-19-965763-6.
Acidity values from Silberberg M (2008). Chemistry: The Molecular Nature of Matter and Change (5th ed.). New York: McGraw-Hill Higher Education. ISBN 978-0-07-721650-4.
Drug monographs from O'Neil MJ, Heckelman PE, Dobbelaar PH, Roman KJ, Kenny CM, Karaffa LS (2013). The Merck Index: An Encyclopedia of Chemicals, Drugs, and Biologicals (15th ed.). Cambridge, UK: Royal Society of Chemistry. ISBN 978-1-84973-670-1.
Solubility values from Pearlman RS (1984). "Water Solubilities of Polynuclear Aromatic and Heteroaromatic Compounds" [On dithionic acid and its salts]. Journal of Physical and Chemical Reference Data. 13 (2): 555–562. doi:10.1063/1.555712.

Chembox

This parameter list:

((Chembox
| Chembox_ref =
<!-- 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 1/7 -->
| ImageFile = 
| ImageSize = 
| ImageAlt  = 
| ImageCaption = 
| ImageName = 
<!-- IMAGE row 2/7 -->
| ImageFile1 = 
| ImageSize1 = 
| ImageAlt1  = 
| ImageCaption1 = 
| ImageName1 = 
<!-- IMAGE (L1, R1) row 3/7 -->
| ImageFileL1 = 
| ImageSizeL1 = 
| ImageAltL1  = 
| ImageCaptionL1 = 
| ImageNameL1 = 
| ImageFileR1 = 
| ImageSizeR1 = 
| ImageAltR1  = 
| ImageCaptionR1 = 
| ImageNameR1 = 
| ImageCaptionLR1 = 
<!-- IMAGE row 4/7 -->
| ImageFile2 = 
| ImageSize2 = 
| ImageAlt2  = 
| ImageCaption2 = 
| ImageName2 = 
<!-- IMAGE (L2, R2) row 5/7 -->
| ImageFileL2 = 
| ImageSizeL2 = 
| ImageAltL2  = 
| ImageCaptionL2 = 
| ImageNameL2 = 
| ImageFileR2 = 
| ImageSizeR2 = 
| ImageAltR2  = 
| ImageCaptionR2 = 
| ImageNameR2 = 
| ImageCaptionLR2= 
<!-- IMAGE row 6/7 -->
| ImageFile3 = 
| ImageSize3 = 
| ImageAlt3  = 
| ImageCaption3 = 
| ImageName3 = 
<!-- IMAGE (L3, 3R) row 7/7 -->
| ImageFileL3 = 
| ImageSizeL3 = 
| ImageAltL3  = 
| ImageCaptionL3 = 
| ImageNameL3 = 
| ImageFileR3 = 
| ImageSizeR3 = 
| ImageAltR3  = 
| ImageCaptionR3 = 
| ImageNameR3 = 
| ImageCaptionLR3= 
<!-- -->
| ImageCaptionAll =
<!-- non-default (data page) pagename (link in Supplement) -->
| data page pagename =
<!-- footer settings -->
| container_only =
| show_footer =

| show_ss_note =
| show_infobox_ref =
| general_note =
))

Identifiers

This parameter list:

|Section1=((Chembox Identifiers
| Identifiers_ref =
<!--index labeling-->
| index_label = 
| index1_label = 
| indexlist_caption = 
| index_comment = 
| index1_comment = 
<!--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, InChIKey: index 1–5-->
| InChI = 
| InChI_Comment = 
| InChIKey = 
| InChI1 = 
| InChI1_Comment = 
| InChIKey1 =
| InChIOther = 
<!--UNII, +ix 1–5-->
| UNII = 
| UNII_Comment = 
| UNII1 = 
| UNII1_Comment = 
| UNIIOther =
<!--DTXSID (CompTox), +ix 1–5-->
| DTXSID =
| DTXSID1 ... DTXSID5 =
| DTXSIDOther =
<!--3DMet, +ix 1–5-->
| 3DMet = 
<!--EC_number, +ix 1–5-->
| EC_number = 
| EC_number1 ... EC_number5 = 
| EC_number_Comment = 
| EINECS =
<!--RTECS, +ix 1–5-->
| RTECS =
| RTECS1 ... RTECS5 =
| RTECSOther =
<!--non-index parameters-->
| Abbreviations = 
| Beilstein = 
| Gmelin = 
| MeSHName =
| 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


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 https://pubchem.ncbi.nlm.nih.gov/
 PubChem compound ID comment


Other PubChem compound ID
------
SMILES
 SMILES comment


Other SMILES


------
StdInChI
 StdInChI comment
StdInChI Key
------
InChI
 InChI comment
InChI Key



Other InChI
------
UNII: Unique Ingredient Identifier, by FDA
 UNII comment


Other UNII
------
DTXSID: CompTox Chemistry Dashboard (default: Property P3117 from Wikidata)













------
Abbreviations
Beilstein reference
Gmelin ID
MeSH heading, links to https://www.nlm.nih.gov/mesh/
UN number

Properties

This parameter list:

| 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 =
| CriticalTP =
| SublimationConditions = 
| Solubility = 
| SolubilityProduct = 
| SolubilityProductAs = 
| SolubleOther = 
| Solvent = 
| Solubility1 = 
| Solvent1 = 
| Solubility2 = 
| Solvent2 = 
| Solubility3 = 
| Solvent3 = 
| Solubility4 = 
| Solvent4 = 
| Solubility5 = 
| Solvent5 =
| Solubility6 = 
| Solvent6 =
| CMC =
| HLB =
| LogP = 
| VaporPressure = 
| HenryConstant = 
| AtmosphericOHRateConstant = 
| pKa = 
| pKb = 
| ConjugateAcid =
| ConjugateBase =
| IsoelectricPt = 
| ElectricalResistivity =
| 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 Celsius. Is converted to F and K
 Also possible: MeltingPtF=, or MeltingPtK=
 
 
 
BoilingPt, any text
Number, in Celsius. Is converted to F and K
 Also possible: BoilingPtF=, or BoilingPtK=
 
 
Critical temperature and pressure
SublimationConditions
Solubility in water (Aqueous solution)
SolubilityProduct
SolubilityProductAs
SolubleOther
Solvent
Solubility1
[[(({Solvent1))}]]
Solubility2
[[(({Solvent2))}]]
Solubility3
[[(({Solvent3))}]]
Solubility4
[[(({Solvent4))}]]
Solubility5
[[(({Solvent5))}]]
Solubility6
[[(({Solvent6))}]]
 CMC
 HLB
LogP
VaporPressure
HenryConstant
AtmosphericOHRateConstant
pKa
pKb
Conjugate acid
Conjugate base
IsoelectricPt
ElectricalResistivity
LambdaMax
Absorbance
BandGap
ElectronMobility
SpecRotation
MagSus
ThermalConductivity
RefractIndex
Viscosity
CriticalRelativeHumidity
Dipole
OrbitalHybridisation
SpecificSurfaceArea
PoreVolume
AveragePoreSize

Structure

Complete list

This parameter 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)
Molecular symmetry "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

Thermochemistry

Complete list

This parameter list:

| Section4 = ((Chembox Thermochemistry
| Thermochemistry_ref =
| HeatCapacity = 
| Entropy = 
| DeltaHform = 
| DeltaGfree = 
| DeltaHcombust =
| DeltaHfus =
| DeltaHvap =
| DeltaHsublim =
| HHV =
| LHV =
 ))

((Chembox Thermochemistry))
Header reference
Specific heat capacity
Standard molar entropy
Standard enthalpy change of formation
Gibbs free energy
Standard enthalpy change of combustion



Heat of combustion#Higher heating value
Heat of combustion#Lower heating value

Note: Add units like

 &nbsp;kJ·mol<sup>−1</sup>
 &nbsp;J·mol<sup>−1</sup>·K<sup>−1</sup>

-->

Explosive

This parameter list:

| Section5 = ((Chembox Explosive
| Explosive_ref =
| ShockSens = 
| FrictionSens = 
| DetonationV = 
| REFactor = 
  ))

((Chembox Explosive))
Header reference
Shock  sensitivity
Friction sensitivity
Detonation velocity
Relative effectiveness factor

Complete list

Pharmacology

This parameter list:

| Section6 = ((Chembox Pharmacology
| Pharmacology_ref =
| ATCCode_prefix = 
| ATCCode_suffix = 
| ATC_Supplemental = 
| ATCvet =
| Drug_class =
| Licence_EU = 
| INN =
| INN_EMA = 
| 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 = 
| Dependence_liability = 
| Addiction_liability = 
| AdminRoutes = 
| Bioavail = 
| ProteinBound = 
| Metabolism = 
| Metabolites = 
| OnsetOfAction = 
| HalfLife = 
| DurationOfAction = 
| Excretion = 
  ))

((Chembox Pharmacology))
Ordered as shown by template
 
Pharmacokinetics

Complete list

Hazards

This parameter list:

| Section7 = ((Chembox Hazards
| Hazards_ref =
| GHS_ref  = 
| GHSPictograms = 
| GHSSignalWord = 
| HPhrases = 
| PPhrases = 
| OHS_ref     =
| MainHazards = 
| IngestionHazard  = 
| InhalationHazard = 
| EyeHazard   = 
| SkinHazard  = 
| NFPA-H = 
| NFPA-F = 
| NFPA-I = 
| 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 =
<!-- (data page) -->
| ExternalSDS = 
 ))

((Chembox Hazards)) - complete list

GHS reference (e.g. Template:Sigma-Aldrich)
GHS pictograms. Use GHS templates, e.g., =((GHS01))((GHS07))
GHS signal word ("Danger", "Warning")
GHS hazard statements. Use ((H-phrases))
GHS precautionary statements. Use ((P-phrases))





((NFPA 704 diamond)):
Health (blue) hazard code (0–4 or -)
Flammability (red) hazard code (0–4 or -)
Instability–reactivity (yellow) hazard code (0–4 or -). Alias: NFPA-R=
Special hazards (white). See ((NFPA 704 diamond))
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)



Threshold limit value
Threshold limit value: time-weighted average
Threshold limit value: short-term exposure limit
Threshold limit value: ceiling limit
Lethal dose, 50% (median lethal dose). Specify species and method (oral/dermal/intravenous), e.g., 950mg/kg (rat, oral)
Lowest lethal dose
Lethal concentration, 50% (median lethal concentration)
Lowest lethal concentration
Permissible exposure limit
Recommended exposure limit
Immediately dangerous to life or health value



Link to an external safety data sheet

This parameter list:

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

Data sheet links, Footer (no parameters)

This parameter list:
- view
- edit

| Section = ((Chembox Supplement
| data page pagename =
))

((Chembox Supplement)) - complete list
Set data page name, default is: <PAGENAME> (data page)

This parameter list:
- view
- edit

<nowiki>((</nowiki>Chembox
| 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 '=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

more on images

This parameter list:

Chembox image ordering ( v e )
row 1	ImageFile
row 2	ImageFile1
row 3	ImageFileL1	ImageFileR1
row 4	ImageFile2
row 5	ImageFileL2	ImageFileR2
row 6	ImageFile3
row 7	ImageFileL3	ImageFileR3

((Chembox
| Name =

<!-- Row 1/7 -->
|ImageFile    = 
|ImageSize    = 
|ImageAlt     = 
|ImageCaption =  
|ImageName    = 

<!-- Row 2/7 -->
|ImageFile1    = 
|ImageSize1    = 
|ImageAlt1     = 
|ImageCaption1 = 
|ImageName1    = 

<!-- Row 3/7 -->
|ImageFileL1    = 
|ImageSizeL1    = 
|ImageAltL1     = 
|ImageCaptionL1 = 
|ImageNameL1    = 

|ImageFileR1    = 
|ImageSizeR1    = 
|ImageAltR1     = 
|ImageCaptionR1 = 
|ImageNameR1    = 

|ImageCaptionLR1= 

<!-- etc. for Image 2, L2 R2, 3, L3 R3 -->

|ImageCaptionAll=

| <!-- ... (more Chembox parameters) -->
))

indexed identifiers

This list:

index example
Identifiers
Compounds lbl: comment lbl1: comment1 lbl2: comment2 lbl3: comment3 lbl4: comment4 lbl5: comment5

| index_label    = 
| index1_label   =
| index2_label   =
| index3_label   = 
| index4_label   = 
| index5_label   =

| index_comment  =
| index1_comment =
| index2_comment =
| index3_comment =
| index4_comment =
| index5_comment =

CASNo
 
ChEBI
 
ChEMBL
 
ChemSpiderID
 
DrugBank
 
IUPHAR_ligand
 
Jmol
 
KEGG
 
PubChem
 
UNII
 
InChI, InChIKey
 
SMILES
 
DTXSID
 
3DMet
 
EC_number
 
RTECS

(({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|))}(({InIKey|))} (({InChI1|))}(({InIKey1|))} (({InChI2|))}(({InChIKey2|))}
   (({InChI3|))}(({InChIKey3|))} (({InChI4|))}(({InChIKey4|))} (({InChI5|))}(({InChIKey5|))}
(({SMILES|))} (({SMILES1|))} (({SMILES2|))}
   (({SMILES3|))} (({SMILES4|))} (({SMILES5|))}
(({DTXSID|))} (({DTXSID1|))} (({DTXSID2|))}
   (({DTXSID3|))} (({DTXSID4|))} (({DTXSID5|))}
(({3DMet|))} (({3DMet1|))} (({3DMet2|))}
   (({3DMet3|))} (({3DMet4|))} (({3DMet5|))}
(({EC_number|))} (({EC_number1|))} (({EC_number2|))}
   (({EC_number3|))} (({EC_number4|))} (({EC_number5|))}
(({RTECS|))} (({RTECS1|))} (({RTECS2|))}
   (({RTECS3|))} (({RTECS4|))} (({RTECS5|))}

more on temperatures

This parameter list:

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 >_50 °C (122 °F; 323 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`	50 °C (122 °F; 323 K) 10 °C; 50 °F; 283 K −223.2 °C; −369.7 °F; 50.0 K 50 to 70 °C (122 to 158 °F; 323 to 343 K) 10 to 21 °C; 50 to 70 °F; 283 to 294 K −223.2 to −203.2 °C; −369.7 to −333.7 °F; 50.0 to 70.0 K

| 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 degrees Fahrenheit
 number, when in kelvins
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 degrees Fahrenheit
 number, when in kelvins
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 degrees Fahrenheit
 number, when in kelvins
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 degrees Fahrenheit
 number, when in kelvins
References (always shows, right after calculations or 'any text')
Notes (always shows last; can include references)

deprecations

This parameter list:

((Chembox)): Reference, preferred use Chembox_ref -- more specific (into Chembox header)

Dipole in ((Chembox Properties))
Dipole in ((Chembox Structure))

((Chembox Dipole)) -reused

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 = ...))

Hazards: RPhrases (see ((GHS phrases))) deprecated & abandoned ca. Dec2021

Hazards: SPhrases (see ((GHS phrases)))

Hazards: RSPhrases

Hazards: Hazard data page (never documented, unused 2021-12)

§ Replacement R-, S-phrases, EUclass with GHS: completed

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

Hazards: EUIndex (unkown history)
Hazards: EUHazardSymbol (unkown history)

WP:CHEMVALID: CheMoBot

verification and the ((cascite)) template set

This page:

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

v t e WP:CHEMVALID: Bot-set templates in ((Chembox)) and ((Drugbox))
template	Verified fields (parameter)	Category 'changed'	default source	((Chembox)) conforms	((Drugbox)) conforms	Monthly report

((cascite))	`\|CASNo=` `\|CAS_number=`	changed CAS number	CAS			usage
((ebicite))	`\|ChEBI=`, `\|ChEMBL=`	changed EBI identifier	EBI			usage
((chemspidercite))	`\|ChemSpiderID=`	changed ChemSpider identifier	ChemSpider			usage
((drugbankcite))	`\|DrugBank=`	changed DrugBank identifier	DrugBank			usage
((keggcite))	`\|KEGG=`	changed KEGG identifier	KEGG			usage
((stdinchicite))	`\|StdInChI=`, `\|StdInChIKey=`, `\|InChIKey=`, `\|InChI=`	changed InChI identifier	ChemSpider			usage
((fdacite))	`\|UNII=`	changed FDA identifier	FDA			usage
((chemboximage))	`\|ImageFile[L/R]=`	changed Chembox image file	(none)		—	usage
((drugboximage))	not existing, not used		(none)	—

Reliability of data[edit]

How to use these infoboxes[edit]

Risk and safety statements

Supplementary data page

Validation

Automatic generation[edit]

See also[edit]

References[edit]

On-line databases

Monographs and journal articles