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IUPAC Name: 7,8,9,12-tetramethylbenzo[b]phenanthrene
Empirical Formula: C22H20
Molecular Weight: 284.3942g/mol
Structure of 5,6,9,10-Tetramethyl-1,2-benzanthracene (CAS NO.63020-39-3):
Index of Refraction: 1.698
Molar Refractivity: 99.08 cm3
Molar Volume: 256.8 cm3
Polarizability: 39.27×10-24cm3
Surface Tension: 46 dyne/cm
Density: 1.107 g/cm3
Flash Point: 249.7 °C
Enthalpy of Vaporization: 73.64 kJ/mol
Boiling Point: 497.5 °C at 760 mmHg
Vapour Pressure: 1.52E-09 mmHg at 25°C
Classification Code: Tumor data
Canonical SMILES: CC1=C(C2=C(C3=C(C(=C2C=C1)C)C4=CC=CC=C4C=C3)C)C
InChI: InChI=1S/C22H20/c1-13-9-11-18-16(4)22-19(15(3)21(18)14(13)2)12-10-17-7-5-6-8-20(17)22/h5-12H,1-4H3
InChIKey: DFKQEQMVSBDKRB-UHFFFAOYSA-N
Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes.
5,6,9,10-Tetramethyl-1,2-benzanthracene , its cas register number is 63020-39-3. It also can be called 4-05-00-02604 (Beilstein Handbook Reference) ; BRN 3303708 ; Benz(a)anthracene, 7,8,9,12-tetramethyl- .