IUPAC Name: 2-(12-Methylbenzo[b]phenanthren-7-yl)ethanol
Synonyms of 7-(2-Hydroxyethyl)-12-methylbenz(a)anthracene (CAS NO.13345-58-9): Benz(a)anthracene-7-ethanol, 12-methyl-
CAS NO: 13345-58-9
Molecular Formula: C21H18O
Molecular Weight: 286.367
Molecular Structure :
H bond acceptors: 1
H bond donors: 1
Freely Rotating Bonds: 3
Polar Surface Area: 9.23 Å2
Index of Refraction: 1.735
Molar Refractivity: 95.68 cm3
Molar Volume: 238.3 cm3
Surface Tension: 55.1 dyne/cm
Density: 1.201 g/cm3
Flash Point: 220 °C
Enthalpy of Vaporization: 84.15 kJ/mol
Boiling Point: 525.3 °C at 760 mmHg
Vapour Pressure: 7.34E-12 mmHg at 25°C
InChI: InChI=1/C21H18O/c1-14-16-7-4-5-9-18(16)19(12-13-22)20-11-10-15-6-2-3-8-17(15)21(14)20/h2-11,22H,12-13H2,1H3
InChIKey: IXGOHTMJBQGTMH-UHFFFAOYAG
Std. InChI: InChI=1S/C21H18O/c1-14-16-7-4-5-9-18(16)19(12-13-22)20-11-10-15-6-2-3-8-17(15)21(14)20/h2-11,22H,12-13H2,1H3
Std. InChIKey: IXGOHTMJBQGTMH-UHFFFAOYSA-N
Questionable carcinogen with experimental tumorigenic data. When 7-(2-Hydroxyethyl)-12-methylbenz(a)anthracene (CAS NO.13345-58-9) is heated to decomposition ,it emits acrid smoke and fumes.
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