Molecular Structure of 7-Bromomethyl-1-methylbenz(a)anthracene (CAS NO.34346-96-8):
IUPAC: 7-(Bromomethyl)-1-methyltetraphene
Molecular Formula: C20H15Br
Molecular Weight: 335.2371
Density: 1.411 g/cm3
Flash Point: 258.5oC
Boiling Point: 513oC at 760 mmHg
Index of Refraction: 1.754
Surface Tension: 54.4 dyne/cm
Molar Volume: 237.5 cm3
Enthalpy of Vaporization: 75.47 kJ/mol
Vapour Pressure: 3.98E-10 mmHg at 25oC
SMILES: BrCc3c2ccc1cccc(c1c2cc4ccccc34)C
InChI: InChI=1/C20H15Br/c1-13-5-4-7-14-9-10-17-18(20(13)14)11-15-6-2-3-8-16(15)19(17)12-21/h2-11H,12H2,1H3
InChIKey: JRCVXUWGSHXBBH-UHFFFAOYAY
Questionable carcinogen with experimental tumorigenic data by skin contact. When heated to decomposition it emits toxic fumes of Br−.
7-Bromomethyl-1-methylbenz(a)anthracene with cas registry number of 34346-96-8 is also known as 1-Methyl-7-bromomethylbenz(a)anthracene ; Benz(a)anthracene, 7-bromomethyl-1-methyl- . It is a tumorigen which is used in research. 7-Bromomethyl-1-methylbenz(a)anthracene with cas registry number of 34346-96-8 is also used as a pharmaceutical intermediate .
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