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2-Phenylanthraquinone (6485-97-8)

Identification
Name:2-Phenylanthraquinone
Synonyms:Anthraquinone,2-phenyl- (7CI,8CI); 2-Phenyl-9,10-anthracenedione;2-Phenyl-9,10-anthraquinone; 2-Phenylanthraquinone; NSC 230302; b-Phenyl-9,10-anthraquinone; b-Phenylanthraquinone
CAS:6485-97-8
Molecular Formula: C20H12O2
Molecular Weight: 284.31
InChI: InChI=1/C20H12O2/c21-19-15-8-4-5-9-16(15)20(22)18-12-14(10-11-17(18)19)13-6-2-1-3-7-13/h1-12H
Molecular Structure: (C20H12O2) Anthraquinone,2-phenyl- (7CI,8CI); 2-Phenyl-9,10-anthracenedione;2-Phenyl-9,10-anthraquinone; 2-Phen...
Properties
Flash Point: 187.2°C
Boiling Point: 506.8°C at 760 mmHg
Density:1.267g/cm3
Refractive index:1.664
Specification:

The cas register number of 2-Phenylanthraquinone is 6485-97-8. It also can be called as 9,10-Anthracenedione,2-phenyl- and the IUPAC Name about this chemical is 2-phenylanthracene-9,10-dione.

Physical properties about 2-Phenylanthraquinone are: (1)ACD/LogP: 5.14; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 2; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 34.14Å2; (6)Index of Refraction: 1.664; (7)Molar Refractivity: 83.26 cm3; (8)Molar Volume: 224.3 cm3; (9)Polarizability: 33x10-24cm3; (10)Surface Tension: 53.5 dyne/cm; (11)Enthalpy of Vaporization: 77.67 kJ/mol; (12)Boiling Point: 506.8 °C at 760 mmHg; (13)Vapour Pressure: 2.16E-10 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-phenyl-9,10-dihydro-anthracene. This reaction will need reagent CrO3, glacial acetic acid.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1c(cccc1)C(=O)c4c2ccc(c3ccccc3)c4
(2)InChI: InChI=1/C20H12O2/c21-19-15-8-4-5-9-16(15)20(22)18-12-14(10-11-17(18)19)13-6-2-1-3-7-13/h1-12H
(3)InChIKey: NTZCFGZBDDCNHI-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C20H12O2/c21-19-15-8-4-5-9-16(15)20(22)18-12-14(10-11-17(18)19)13-6-2-1-3-7-13/h1-12H
(5)Std. InChIKey: NTZCFGZBDDCNHI-UHFFFAOYSA-N

Flash Point: 187.2°C
Safety Data
 

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