benz[a]anthracene-7,12-quinone (2498-66-0)

The CAS register number of 1,2-Benzanthraquinone is 2498-66-0. It also can be called as Benz(a)anthracene-7,12-quinone and the systematic name about this chemical is benzo[a]anthracene-7,12-dione. Its molecular formula is C₁₈H₁₀O₂ and molecular weight is 258.27.

Physical properties about 1,2-Benzanthraquinone are: (1)ACD/LogP: 4.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.61; (4)ACD/LogD (pH 7.4): 4.61; (5)ACD/BCF (pH 5.5): 1894.04; (6)ACD/BCF (pH 7.4): 1894.04; (7)ACD/KOC (pH 5.5): 7718.84; (8)ACD/KOC (pH 7.4): 7718.84; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 34.14Ų; (13)Index of Refraction: 1.722; (14)Molar Refractivity: 76.51 cm³; (15)Molar Volume: 193.1 cm³; (16)Surface Tension: 60.9 dyne/cm; (17)Density: 1.336 g/cm³; (18)Flash Point: 175.5 °C; (19)Enthalpy of Vaporization: 73.55 kJ/mol; (20)Boiling Point: 472.5 °C at 760 mmHg; (21)Vapour Pressure: 4.24E-09 mmHg at 25°C.

Uses of 1,2-Benzanthraquinone: It reacts with bromoacetic acid ethyl ester to get (7-hydroxy-12-oxo-7,12-dihydro-benzo[a]anthracen-7-yl)-acetic acid ethyl ester. This reaction needs solvent benzene. The reaction time is 12 hours. The yield is 86 %.



When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 

People can use the following data to convert to the molecule structure.
1.SMILES: O=C3c1c(ccc2c1cccc2)C(=O)c4c3cccc4
2.InChI: InChI=1/C18H10O2/c19-17-13-7-3-4-8-14(13)18(20)16-12-6-2-1-5-11(12)9-10-15(16)17/h1-10H
3.InChIKey: LHMRXAIRPKSGDE-UHFFFAOYAS
4.Std. InChI: InChI=1S/C18H10O2/c19-17-13-7-3-4-8-14(13)18(20)16-12-6-2-1-5-11(12)9-10-15(16)17/h1-10H