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Script assisted update of identifiers from ChemSpider, CommonChemistry and FDA for the Chem/Drugbox validation project - Updated: InChI1->InChI StdInChI StdInChIKey. |
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| Section1 = {{Chembox Identifiers |
| Section1 = {{Chembox Identifiers |
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| ChemSpiderID = 8840 |
| ChemSpiderID = 8840 |
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| InChI = 1/C17H12/c1-3-7-14-12(5-1)9-10-16-15-8-4-2-6-13(15)11-17(14)16/h1-10H,11H2 |
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| InChIKey = HKMTVMBEALTRRR-UHFFFAOYAQ |
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| SMILES = c4ccc3c2c(c1c(cccc1)C2)ccc3c4 |
| SMILES = c4ccc3c2c(c1c(cccc1)C2)ccc3c4 |
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| StdInChI = 1S/C17H12/c1-3-7-14-12(5-1)9-10-16-15-8-4-2-6-13(15)11-17(14)16/h1-10H,11H2 |
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| StdInChIKey = HKMTVMBEALTRRR-UHFFFAOYSA-N |
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| CASNo = 238-84-6 |
| CASNo = 238-84-6 |
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| CASNo_Ref = |
| CASNo_Ref = |
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Revision as of 16:23, 29 November 2010
![Chemical structure of benzo[a]fluorene](https://thcscience.wiki/term/trichome/?rdp_we_resource=https%3A%2F%2Fen.wikipedia.org%2Fwiki%2FFile%3ABenzo%28a%29fluorene.png)
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| Names | |
|---|---|
| IUPAC name
11H-Benzo[a]fluorene
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| Other names
2,3-Benzopyrene
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| Identifiers | |
3D model (JSmol)
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| ChemSpider | |
| ECHA InfoCard | 100.005.405 |
CompTox Dashboard (EPA)
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| Properties | |
| C17H12 | |
| Molar mass | 216.277 g/mol |
| Density | 0.819 g/cm3 |
| Melting point | 189.5°C |
| Boiling point | 405°C |
| 0.000045 g/L | |
| Solubility | soluble in diethyl ether, benzene, chloroform |
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Benzo[a]fluorene (IUPAC name, 11H-Benzo[a]fluorene) is a polycyclic aromatic hydrocarbon (PAH). It is currently listed as a Group 3 carcinogen by the IARC.[2]
References
- ^ Lide, David R. (1998), Handbook of Chemistry and Physics (87 ed.), Boca Raton, FL: CRC Press, pp. 3–42, 8–119, ISBN 0849305942
- ^ "Benzo(a)fluorene (IARC Summary & Evaluation, Volume 32, 1983)". IARC. 17 April 1998. Retrieved 22 July 2010.