Wikidata:WikiProject Chemistry/References
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References assessment edit
- Reference name: name of the reference (book, database, website)
- Availability: link for reference use. If there is an item, put the link to the item; if it is a website, put the URL,...
- Property: Property
- Rank: Assessment of reference according to Wikidata description: preferred, normal, deprecated (see here for details).
- Assessment: Internal ranking of the task force between similar references having the same rank in order to promote the best references to use.
| Reference name | Availability | Property | Rank | Assessment |
|---|---|---|---|---|
| CRC Handbook of Chemistry and Physics | CRC Handbook of Chemistry and Physics (92nd edition) (Q11927173) | Melting point | Preferred | 1 |
| CRC Handbook of Chemistry and Physics | CRC Handbook of Chemistry and Physics (92nd edition) (Q11927173) | Boiling point | Preferred | 1 |
| CRC Handbook of Chemistry and Physics | CRC Handbook of Chemistry and Physics (92nd edition) (Q11927173) | Density | Preferred | 1 |
| CRC Handbook of Chemistry and Physics | CRC Handbook of Chemistry and Physics (92nd edition) (Q11927173) | Refractive index | Preferred | 1 |
| CRC Handbook of Chemistry and Physics | CRC Handbook of Chemistry and Physics (92nd edition) (Q11927173) | Sound speed | Preferred | 1 |
| CRC Handbook of Chemistry and Physics | CRC Handbook of Chemistry and Physics (92nd edition) (Q11927173) | Fusion enthalpy | Preferred | 1 |
| NIST Webbook | Website | Melting point | Normal | |
| Example | Example | Example | Example |
Propositions edit
List books, scientific journal, technical reports of organizations which are static in time. This will reduce the maintenance work due to change in the access of the data.
- CRC Handbook of Chemistry and Physics
- Lange's handbook of chemistry
- Perry's Chemical Engineers' Handbook
- Handbook of Thermodynamic Diagrams
- The Properties of Solvents
- Material Safety Data Sheets of vendors
- UN numbers
- Official Journal of the European Union for GHS data, CAS number, EINECS number
- G. Hommel "Handbuch der gefährlichen Güter" CD-ROM "Hommel interaktiv" ab Version 5.0 Springer-Verlag, Heidelberg
- Ecotoxicological Data, compiled by the US Environmental Protection Agency (EPA), selected and distributed by Technical Database Services (TDS), New York, 2009
- Bingham E., Cohrssen B., Powell C.H. (edts.) "Patty´s Toxicology" fith edition, John Wiley & Sons, New York 2001
- Sorbe "Sicherheitstechnische Kenndaten chemischer Stoffe" sicherheitsNet.de, Landsberg, 07/2011
To avoid: internet links are difficult to handle through the time due to changes in the website database or in the URL:
- GESTIS Substance Database
- NIST WebBook
- SRC / PHYSDROP
- NLM ChemIDplus
- RSC ChemSpider
- Chemical Structure Lookup Service is a very powerful link for find data about chemical compound "from over 100 databases (46 million unique structures)"
Data in external databases which can considered as reference data edit
| Database/Properties | isomeric SMILES | canonical SMILES | Sdt InChI | Sdt InChIKey | PubChem CID | ChEMBL ID | ChEBI ID | KEGG ID | ChemSpider ID | DrugBank ID | UNII | CAS number | EINECS number | ECHA number | Beilstein | Gmelin Number | Zinc ID |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| PubChem |  OK |
OK |
OK |
OK |
OK |
only for comparison | |||||||||||
| ChEMBL | OK1 |
OK1 |
OK |
OK |
NA | OK |
NA | NA | NA | NA | NA | OK |
NA | NA | OK |
OK |
OK
|
| ChEBI | NA | OK |
OK |
OK |
NA | NA | OK |
OK |
NA | OK |
NA | OK |
NA | NA | OK |
OK |
NA |
| KEGG | - | ? | - | X | - | ||||||||||||
| ChemSpider | ? | X | - | - | X | ||||||||||||
| ECHA | - | ? | X | ? | - | ||||||||||||
| ChemIDplus | X | ? | X | ? | X | ||||||||||||
NA: not available
- 1 ChEMBL database doesn't do the difference between isomeric SMILES and canonical SMILES
IUPAC sources edit
- IUPAC nomenclature of inorganic chemistry 2005 (Q5975418)
- Nomenclature of Organic Chemistry. IUPAC Recommendations and Preferred Names 2013 (Q54019023)
- Glossary of Class Names of Organic Compounds and Reactive Intermediates Based on Structure (IUPAC Recommendations 1995) (Q47154604)
- Graphical representation standards for chemical structure diagrams (IUPAC Recommendations 2008) (Q54062325)
Reference description edit
For reference, please follow guidelines in Help:Sources.
Report of errors in reference databases edit
ChemIDplus edit
- Same InChIKey for both trans isomer and isomers mixture for Anethole and trans-Anethole.
- Same InChIKey for both trans isomer and isomers mixture for Diazene, diphenyl-, (E)- and Azobenzene.
- A covalent form is used to describe potassium cyanide leading to a InChIKey YUZRZFQHUCKACF-UHFFFAOYSA-N. 6.12.2016
- Wrong structure for 1664-54-6: the correct structure is 3-(3-aminophenyl)propionic acid (Q29042853) and not 3-amino-3-phenylpropanoic acid (Q27136996) 27.3.2017
- Wrong identification for CAS 17272-57-0: this corresponds to the radical and not to the trimethyltin compound. 3.6.2017
ChEBI edit
A covalent form is used to describe potassium cyanide leading to a InChIKey YUZRZFQHUCKACF-UHFFFAOYSA-N. 6.12.16Corrected 8.12.16