Wikipedia:Chemical infobox

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

Contents 1 Disclaimer 2 Infobox styles 2.1 Chembox infobox for full articles 2.2 Simple infoboxes for starting articles 2.3 Related infoboxes 3 How to use these tables 3.1 NFPA diamond 3.2 Risk and safety statements 3.3 Supplementary data page 4 See also 5 References

[edit] Disclaimer

These tables are constructed by experts in the field of chemical sciences, as well as amateurs and possibly less knowledgeable passers-by. 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 Material Safety Data Sheets supplied by the manufacturer and/or relevant government agency.

All data as presented in these tables are for materials in their standard state, which is at 25 °C and 100 kPa by definition. If values are given for other conditions, this is explicitly indicated.

[edit] Infobox styles

The following three infoboxes are developed and used in the Chemistry WikiProject. Please use them where appropriate. See the Worklist of the Chemicals WikiProject for wikipages with practical examples.

[edit] Chembox infobox for full articles

Chemical infobox
Image:Chemical infobox.png
General
Systematic name	?
Other names	?
Molecular formula	?
SMILES	?
Molar mass	?.?? g/mol
Appearance	?
CAS number	[?-?-?]
Properties
Density and phase	? g/cm³, ?
Solubility in water	? g/100 ml (?°C)
Melting point	?°C (? K)
Boiling point	?°C (? K)
Acidity (pKa)	?
Basicity (pKb)	?
Chiral rotation [α]D	?°
Viscosity	? cP at ?°C
Structure
Molecular shape	?
Coordination geometry	?
Crystal structure	?
Dipole moment	? D
Hazards
MSDS	External MSDS
Main hazards	?
NFPA 704
Flash point	?°C
R/S statement	R: ? S: ?
RTECS number	?
Supplementary data page
Structure and properties	n, εr, etc.
Thermodynamic data	Phase behaviour Solid, liquid, gas
Spectral data	UV, IR, NMR, MS
Related compounds
Other anions	?
Other cations	?
Related ?	?
Related compounds	?
Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa) Infobox disclaimer and references

The {{Chembox}} infobox is usable for all chemical compounds and substances, e.g., hydrochloric acid. This infobox is the recommended infobox to use where detailed information is appropriate, for example with very common compounds, and for high quality chemicals wikipages. This template is recommended by the WikiProject Chemicals for all its wikipages. Since it is impracticable to include all data on a compound on the main page, some data appear instead on a supplementary data page, linked from this table. This includes thermodynamic & spectral data, as well as a link to an external MSDS.

Note: After extensive discussion and peer review, the standard table has been completely revised, as of May 16, 2005.

[edit] Simple infoboxes for starting articles

Currently two simple infoboxes are available to be used in starting wikipages, and chem-stub pages. They can be replaced later by the full infobox above.

The {{Chembox simple organic}} is an abbreviated form for organic chemical compounds and substances.	Chemical infobox Image:Chemical infobox.png Systematic name Chemical infobox Chemical formula CxHxNxOx Molecular mass xx.xx g/mol Density x.xxx g/cm³ Melting point xx.x °C Boiling point xx.x °C CAS number [xx-xx-xx] SMILES xxxxx Disclaimer and references
The {{Chembox simple inorganic}} is the abbreviated form for inorganic chemical compounds and substances.	Chemical infobox Systematic name Chemical infobox Other names xxx, xxx Molecular formula XxXxXx Molar mass xx.xx g/mol Density x.xxx g/cm³ Solubility (water) x.xx g/l Melting point xx.x °C Boiling point xx.x °C CAS number [xx-xx-xx] Disclaimer and references

[edit] Related infoboxes

• For drug-related articles, there is a different type of infobox in use, called a DrugBox. See the WikiProject Drugs page for more information.
• For chemical elements, a dedicated infobox was developed. See the Wikipedia:WikiProject Elements for details.

[edit] How to use these tables

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

1. Edit the chemicals article to add the infobox to

2. Copy and paste one of the following three templates on the top line:

• {{subst:chembox}}
• {{subst:chembox simple organic}}
• {{subst:chembox simple inorganic}}

3. Save the page. Now the template text is substituted by the actual infobox code

4. Edit the article again, and now the infobox is available for editing

If there was an infobox with outdated format already on the wikipage, you can move all relevant data to the new table and delete the old one.

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

[edit] NFPA diamond

The NFPA fire diamond is produced by the {{NFPA 704}} template, in the format {{NFPA 704 | Health=# | Flammability=# | Reactivity=# | Other=( W or OX) }}, where # is a number from 0-4. Risks may be W (reacts violently with water) or OX (oxidizer). Leaving any field out will default it to 0 or blank.

So, e.g., for the toxic and corrosive oxidizer bromine trifluoride, one ought to use {{NFPA 704 | Health=3 | Reactivity=3 | Other=OX }}, as shown at right.

[edit] Risk and safety statements

The raw codes for R-phrases and List of S-phrases do not mean much to most people. A set of templates has been created to ease the confusion, one template for each phrase. If one enters {{R45}} into the table cell, the displayed result is R45: holding the cursor over the link displays the meaning of the code.

[edit] 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.

[edit] See also

• List of organic compounds
• List of inorganic compounds
• List of biomolecules
• Wikipedia:WikiProject Chemicals, and its current worklist
• Chemistry resources

[edit] References

• Excel data/VBA table generator - the data for these tables
• SI Chemical Data Book (4th ed.), Gordon Aylward and Tristan Findlay, Jacaranda Wiley
• http://webbook.nist.gov/chemistry/
• http://www.crystran.co.uk/
• http://www.chemexper.com/
• http://chemfinder.cambridgesoft.com/
• WebElements.com
• Ratio International Corporation Crystal Structure Catalogue
• A. F. Wells, 'Structural Inorganic Chemistry, 5th ed., Oxford University Press, Oxford, UK, 1984.
• N. N. Greenwood, A. Earnshaw, Chemistry of the Elements, 2nd ed., Butterworth-Heinemann, Oxford, UK, 1997.
• Handbook of Chemistry and Physics, CRC Press, Ann Arbor, Michigan.
• The Merck Index, 7th edition, Merck & Co, Rahway, New Jersey, USA, 1960.