IUPAC Name: 8,12-dimethylbenzo[b]phenanthrene
Empirical Formula: C20H16
Molecular Weight: 256.34g/mol
Structure of 5,9-Dimethyl-1,2-benzanthracene (CAS NO.20627-31-0):
Index of Refraction: 1.728
Molar Refractivity: 89.43 cm3
Molar Volume: 224.3 cm3
Polarizability: 35.45×10-24cm3
Surface Tension: 49.1 dyne/cm
Density: 1.142 g/cm3
Flash Point: 227.3 °C
Enthalpy of Vaporization: 69.69 kJ/mol
Boiling Point: 463.5 °C at 760 mmHg
Vapour Pressure: 2.51E-08 mmHg at 25°C
Classification Code: Tumor data
Canonical SMILES: CC1=CC=CC2=C1C=C3C=CC4=CC=CC=C4C3=C2C
InChI: InChI=1S/C20H16/c1-13-6-5-9-17-14(2)20-16(12-19(13)17)11-10-15-7-3-4-8-18(15)20/h3-12H,1-2H3
InChIKey: FBIFSZUQMIZITB-UHFFFAOYSA-N
Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes. See also DIMETHYLBENZANTHRACENE.
5,9-Dimethyl-1,2-benzanthracene , its cas register number is 20627-31-0. It also can be called -05-00-02415 (Beilstein Handbook Reference) ; 8,12-Dimethylbenz(a)anthracene ; BRN 1959352 . When 5,9-Dimethyl-1,2-benzanthracene (CAS NO.20627-31-0) is heated to decomposition it emits acrid smoke and irritating fumes.
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