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Empirical Formula of 5-Methoxy-7-methylbenz(a)anthracene (CAS NO.966-48-3): C20H16O
Molecular Weight: 272.3404
Index of Refraction: 1.716
Density: 1.173 g/cm3
Flash Point: 198.7 °C
Enthalpy of Vaporization: 71.77 kJ/mol
Boiling Point: 481.5 °C at 760 mmHg
Vapour Pressure: 5.8E-09 mmHg at 25 °C
Structure of 5-Methoxy-7-methylbenz(a)anthracene (CAS NO.966-48-3):
IUPAC Name: 5-Methoxy-7-methylbenzo[a]anthracene
Canonical SMILES: CC1=C2C=C(C3=CC=CC=C3C2=CC4=CC=CC=C14)OC
InChI: InChI=1S/C20H16O/c1-13-15-8-4-3-7-14(15)11-19-16-9-5-6-10-17(16)20(21-2)12-18(13)19/h3-12H,1-2H3
InChIKey: PRLOOJMAUMLKMS-UHFFFAOYSA-N
Questionable carcinogen with experimental tumorigenic data. When heated to decomposition 5-Methoxy-7-methylbenz(a)anthracene (CAS NO.966-48-3) emits acrid smoke and irritating fumes.
5-Methoxy-7-methylbenz(a)anthracene , its cas register number is 966-48-3. It also can be called 3-Methoxy-10-methyl-1,2-benzanthracene ; BRN 2563813 ; and Benz(a)anthracene, 5-methoxy-7-methyl- .