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64977-47-5

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Basic Information
CAS No.: 64977-47-5
Name: 7-Fluoro-5-methylchrysene
Molecular Structure:
Molecular Structure of 64977-47-5 (7-Fluoro-5-methylchrysene)
Formula: C19H13 F
Molecular Weight: 260.311
Synonyms: 5-Methyl-7-fluorochrysene;7-Fluoro-5-methylchrysene
Density: 1.226g/cm3
Boiling Point: 452.4°Cat760mmHg
Flash Point: 199.4°C
Safety: Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of F−. See also CHRYSENE.
PSA: 0.00000
LogP: 5.59370
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Chemistry

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 .

Toxicity Data With Reference

1.    

mma-sat 20 µg/plate

     JJIND8    JNCI, Journal of the National Cancer Institute. 63 (1979),855.

Safety Profile

Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of F−. See also CHRYSENE.

Specification

 7-Fluoro-5-methylchrysene (CAS NO.64977-47-5) is also called as BRN 2530854 ; Chrysene, 7-fluoro-5-methyl- .