7,12-Dimethyl-5-fluorobenz[a]anthracene

IUPAC Name: 5-Fluoro-7,12-dimethylbenzo[b]phenanthrene
Synonyms of 7,12-Dimethyl-5-fluorobenz(a)anthracene (CAS NO.794-00-3): 5-Fluoro-7,12-dimethylbenz(a)anthracene ; Benz(a)anthracene, 5-fluoro-7,12-dimethyl- (8CI)(9CI) ; Benz(a)anthracene, 7,12-dimethyl-5-fluoro-
CAS NO: 794-00-3
Molecular Formula: C₂₀H₁₅F
Molecular Weight: 274.3315
Molecular Structure :
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 0
Polar Surface Area: 0 Å²
Index of Refraction: 1.711
Molar Refractivity: 89.42 cm³
Molar Volume: 228.5 cm³
Surface Tension: 47.8 dyne/cm
Density: 1.2 g/cm³
Flash Point: 213.3 °C
Enthalpy of Vaporization: 70.03 kJ/mol
Boiling Point: 466.4 °C at 760 mmHg
Vapour Pressure: 1.99E-08 mmHg at 25°C
InChI: InChI=1/C20H15F/c1-12-14-7-3-4-8-15(14)13(2)20-17-10-6-5-9-16(17)19(21)11-18(12)20/h3-11H,1-2H3
InChIKey: AXKHSIBLEVOWME-UHFFFAOYAU
Std. InChI: InChI=1S/C20H15F/c1-12-14-7-3-4-8-15(14)13(2)20-17-10-6-5-9-16(17)19(21)11-18(12)20/h3-11H,1-2H3
Std. InChIKey: AXKHSIBLEVOWME-UHFFFAOYSA-N

EPA Genetic Toxicology Program.

Questionable carcinogen with experimental tumorigenic data. Human mutation data reported. An initiator. When 7,12-Dimethyl-5-fluorobenz(a)anthracene (CAS NO.794-00-3) is heated to decomposition, it emits toxic fumes of F⁻.