Molecular Formula: C20H13N
Molecular Weight: 267.323920 g/mol
The Molecular Structure of 9-Methyl-10-cyano-1,2-benzanthracene (CAS NO.63020-25-7):
Classification: Tumor data
IUPAC: 12-methylbenzo[a]anthracene-7-carbonitrile
Nominal Mass: 267 Da
Average Mass: 267.3239 Da
Monoisotopic Mass: 267.104799 Da
ACD/LogP: 5.81
ACD/LogD (pH 5.5): 5.81
ACD/LogD (pH 7.4): 5.81
ACD/BCF (pH 5.5): 15255.28
ACD/BCF (pH 7.4): 15255.28
ACD/KOC (pH 5.5): 34362.11
ACD/KOC (pH 7.4): 34362.11
Polar Surface Area: 23.79Å2
Index of Refraction: 1.75
Molar Refractivity: 88.61 cm3
Molar Volume: 217.5 cm3
Surface Tension: 60.2 dyne/cm
Density: 1.22 g/cm3
Flash Point: 267.7 °C
Enthalpy of Vaporization: 78.74 kJ/mol
Boiling Point: 515.5 °C at 760 mmHg
Vapour Pressure: 9.77E-11 mmHg at 25°C
InChI: InChI=1/C20H13N/c1-13-15-7-4-5-9-17(15)19(12-21)18-11-10-14-6-2-3-8-16(14)20(13)18/h2-11H,1H3
Smiles: c12c(ccc3c(c4ccccc4c(c13)C)C#N)cccc2
Cyanide and its compounds are on the Community Right-To-Know List.
Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of NOx and CN−. See also NITRILES.
9-Methyl-10-cyano-1,2-benzanthracene (CAS NO.63020-25-7) is also called as 7-Cyano-12-methylbenz(a)anthracene ; Benz(a)anthracene, 7-cyano-12-methyl- .
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