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IUPAC Name: 9-propan-2-ylbenzo[b]phenanthrene
Empirical Formula: C21H18
Molecular Weight: 270.3676g/mol
Structure of 6-Isopropyl-1:2-benzanthracene (CAS NO.63020-48-4):
Index of Refraction: 1.704
Molar Refractivity: 93.96 cm3
Molar Volume: 241.8 cm3
Polarizability: 37.25×10-24cm3
Surface Tension: 47.1 dyne/cm
Density: 1.117 g/cm3
Flash Point: 223.6 °C
Enthalpy of Vaporization: 68.77 kJ/mol
Boiling Point: 455.4 °C at 760 mmHg
Vapour Pressure: 4.77E-08 mmHg at 25°C
Classification Code: Tumor data
Canonical SMILES: CC(C)C1=CC2=C(C=C1)C=C3C(=C2)C=CC4=CC=CC=C43
InChI: InChI=1S/C21H18/c1-14(2)16-8-9-17-13-21-18(12-19(17)11-16)10-7-15-5-3-4-6-20(15)21/h3-14H,1-2H3
InChIKey: PPSSWZLVDPGSQP-UHFFFAOYSA-N
Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and fumes.
6-Isopropyl-1:2-benzanthracene , its cas register number is 63020-48-4. It also can be called 3-05-00-02425 (Beilstein Handbook Reference) ; 9-Isopropylbenz(a)anthracene ; BRN 2525192 . When 6-Isopropyl-1:2-benzanthracene (CAS NO.63020-48-4) is heated to decomposition, it emits acrid smoke and fumes.