Product Name: 5,6-Dimethyl-1,2-benzanthracene (CAS NO.58430-00-5)
Molecular Formula: C20H16
Molecular Weight: 256.36g/mol
Mol File: 58430-00-5.mol
Boiling point: 466.5 °C at 760 mmHg
Flash Point: 229.1 °C
Density: 1.142 g/cm3
Surface Tension: 49.1 dyne/cm
Enthalpy of Vaporization: 70.04 kJ/mol
Vapour Pressure: 1.97E-08 mmHg at 25°C
XLogP3-AA: 6.8
H-Bond Donor: 0
H-Bond Acceptor: 0
IUPAC Name: 8,9-dimethylbenzo[b]phenanthrene
Canonical SMILES: CC1=C(C2=CC3=C(C=C2C=C1)C4=CC=CC=C4C=C3)C
InChI: InChI=1S/C20H16/c1-13-7-8-16-12-20-17(11-19(16)14(13)2)10-9-15-5-3-4-6-
18(15)20/h3-12H,1-2H3
InChIKey: PYYMVIMLYZWIHJ-UHFFFAOYSA-N
Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes. See also DIMETHYLBENZANTHRACENE.
5,6-Dimethyl-1,2-benzanthracene ,its CAS NO. is 58430-00-5,the synonyms is 3-05-00-02414 (Beilstein Handbook Reference) ; 8,9-Dimethylbenz(a)anthracene ; BRN 3261103 ; Benz(a)anthracene, 8,9-dimethyl- .
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