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The Molecular Structure of 7-Fluoro-5-methylchrysene (CAS NO.64977-47-5):
Molecular Formula: C19H13F
Molecular Weight: 260.304923 g/mol
Index of Refraction: 1.728
Molar Refractivity: 84.59 cm3
Molar Volume: 212.2 cm3
Surface Tension: 49.6 dyne/cm
Density: 1.226 g/cm3
Flash Point: 199.4 °C
Enthalpy of Vaporization: 68.43 kJ/mol
Boiling Point: 452.4 °C at 760 mmHg
Vapour Pressure: 6.04E-08 mmHg at 25°C
Classification Code: Mutation data,Tumor data
InChI
InChI=1/C19H13F/c1-12-11-17-15(7-4-8-18(17)20)16-10-9-13-5-2-3-6-14(13)19(12)16/h2-11H,1H3
Smiles
c12c(c3c(cccc3)cc2)c(cc2c1cccc2F)C
The IUPAC of 7-Fluoro-5-methylchrysene (CAS NO.64977-47-5) is 1-fluoro-11-methylchrysene .
1. | mma-sat 20 µg/plate | JJIND8 JNCI, Journal of the National Cancer Institute. 63 (1979),855. |
Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of F−. See also CHRYSENE.
7-Fluoro-5-methylchrysene (CAS NO.64977-47-5) is also called as BRN 2530854 ; Chrysene, 7-fluoro-5-methyl- .