IUPAC Name: 7,12-dimethoxybenzo[a]anthracene
Synonyms of 7,12-Dimethoxybenz(a)anthracene (CAS NO.16354-53-3): Benz(a)anthracene, 7,12-dimethoxy-
CAS NO: 16354-53-3
Molecular Formula: C20H16O2
Molecular Weight: 288.3398
Molecular Structure :
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 18.46 Å2
Index of Refraction: 1.704
Molar Refractivity: 93.13 cm3
Molar Volume: 239.7 cm3
Surface Tension: 48.2 dyne/cm
Density: 1.202 g/cm3
Flash Point: 210.1 °C
Enthalpy of Vaporization: 73.98 kJ/mol
Boiling Point: 500.4 °C at 760 mmHg
Vapour Pressure: 1.18E-09 mmHg at 25°C
InChI: InChI=1/C20H16O2/c1-21-19-15-9-5-6-10-16(15)20(22-2)18-14-8-4-3-7-13(14)11-12-17(18)19/h3-12H,1-2H3
InChIKey: PTYJZLYGAHHXDM-UHFFFAOYAY
Std. InChI: InChI=1S/C20H16O2/c1-21-19-15-9-5-6-10-16(15)20(22-2)18-14-8-4-3-7-13(14)11-12-17(18)19/h3-12H,1-2H3
Std. InChIKey: PTYJZLYGAHHXDM-UHFFFAOYSA-N
Questionable carcinogen with experimental neoplastigenic data. When 7,12-Dimethoxybenz(a)anthracene (CAS NO.16354-53-3) is heated to decomposition, it emits acrid smoke and irritating fumes.
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