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.
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.
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).
Haynes WM (2015). CRC Handbook of Chemistry and Physics (96th ed.). Boca Raton, FL: CRC Press. ISBN978-1-4822-6096-0.
Gahan L, Blackman A (2014). Aylward and Findlay's SI Chemical Data (7th ed.). Australia: John Wiley & Sons. ISBN978-0-7303-0246-9.
Greenwood N, Earnshaw A (2006). Chemistry of the Elements (2nd ed.). Oxford: Butterworth-Heinemann. ISBN978-0-7506-3365-9.
Wells AF (2012). Structural Inorganic Chemistry (5th ed.). Oxford, UK: Oxford University Press. ISBN978-0-19-965763-6.
Acidity values from Silberberg M (2008). Chemistry: The Molecular Nature of Matter and Change (5th ed.). New York: McGraw-Hill Higher Education. ISBN978-0-07-721650-4.
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. ISBN978-1-84973-670-1.
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 Identifiers))
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CAS registry number, links to http://www.commonchemistry.org/
CAS registry number comment
Other CAS RN (unformatted)
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ChEBI, links to http://www.ebi.ac.uk/chebi/
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ChEMBL
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ChemSpider ID, links to http://www.chemspider.com/
ChemSpider ID comment
Other ChemSpider ID
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DrugBank
comment
Other DrugBank
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IUPHAR/BPS
comment
Other IUPHAR
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KEGG entry, links to http://www.genome.jp/kegg/
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PubChem compound ID, links to https://pubchem.ncbi.nlm.nih.gov/
PubChem compound ID comment
Other PubChem compound ID
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SMILES
SMILES comment
Other SMILES
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StdInChI
StdInChI comment
StdInChI Key
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InChI
InChI comment
InChI Key
Other InChI
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UNII: Unique Ingredient Identifier, by FDA
UNII comment
Other UNII
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DTXSID: CompTox Chemistry Dashboard (default: Property P3117 from Wikidata)
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Abbreviations
Beilstein reference
Gmelin ID
MeSH heading, links to https://www.nlm.nih.gov/mesh/
UN number
((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
((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
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
((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)
((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)
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