Product Name: Benz(a)anthracene-7-ethanol (CAS NO.63020-45-1)
Molecular Formula: C20H16O
Molecular Weight: 272.36g/mol
Mol File: 63020-45-1.mol
Boiling point: 514.5 °C at 760 mmHg
Flash Point: 221.1 °C
Density: 1.226 g/cm3
Surface Tension: 57.6 dyne/cm
Enthalpy of Vaporization: 82.78 kJ/mol
Vapour Pressure: 82.78 kJ/mol
XLogP3-AA: 5.2
H-Bond Donor: 1
H-Bond Acceptor: 1
Structure Descriptors of Benz(a)anthracene-7-ethanol (CAS NO.63020-45-1):
IUPAC Name: 2-benzo[b]phenanthren-7-ylethanol
Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4C=C32)CCO
InChI: InChI=1S/C20H16O/c21-12-11-19-17-8-4-2-6-15(17)13-20-16-7-3-1-5-14(16)9-10-18(19)20/h1-10,13,21H,11-12H2
InChIKey: NKALMYNXJQQHFR-UHFFFAOYSA-N
Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes.
Benz(a)anthracene-7-ethanol ,its CAS NO. is 63020-45-1,the synonyms is 10-beta-Hydroxyethyl-1:2-benzanthracene ; 4-06-00-05097 (Beilstein Handbook Reference) ; BRN 3335133 .
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