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CAS No.: | 3770-82-9 |
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Name: | 1,3-DIBENZOYLBENZENE |
Article Data: | 29 |
Molecular Structure: | |
Formula: | C20H14O2 |
Molecular Weight: | 286.33 |
Synonyms: | Benzene,m-dibenzoyl- (7CI,8CI);Methanone, 1,3-phenylenebis[phenyl- (9CI);1,3-Dibenzoylbenzene;3-Benzoylbenzophenone;m-Benzoylbenzophenone;m-Dibenzoylbenzene; |
EINECS: | 223-210-6 |
Density: | 1.165 g/cm3 |
Melting Point: | 105-108 °C(lit.) |
Boiling Point: | 467.5 °C at 760 mmHg |
Flash Point: | 173.8 °C |
PSA: | 34.14000 |
LogP: | 4.14860 |
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The CAS registry number of Methanone,1,1'-(1,3-phenylene)bis[1-phenyl- is 3770-82-9. Its EINECS registry number is 223-210-6. The IUPAC name is (3-benzoylphenyl)-phenylmethanone. In addition, the molecular formula is C20H14O2 and the molecular weight is 286.32. It is also called 1,3-Dibenzoylbenzene. What's more, it belongs to the classes of C15 to C38; Carbonyl Compounds; Ketones and should be stored in a cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP: 4.42; (2)ACD/LogD (pH 5.5): 4.42; (3)ACD/LogD (pH 7.4): 4.42; (4)ACD/BCF (pH 5.5): 1338.76; (5)ACD/BCF (pH 7.4): 1338.76; (6)ACD/KOC (pH 5.5): 6021.32; (7)ACD/KOC (pH 7.4): 6021.32; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 34.14 Å2; (11)Index of Refraction: 1.615; (12)Molar Refractivity: 85.83 cm3; (13)Molar Volume: 245.6 cm3; (14)Polarizability: 34.02 ×10-24cm3; (15)Surface Tension: 47.9 dyne/cm; (16)Density: 1.165 g/cm3; (17)Flash Point: 173.8 °C; (18)Enthalpy of Vaporization: 72.95 kJ/mol; (19)Boiling Point: 467.5 °C at 760 mmHg; (20)Vapour Pressure: 6.49E-09 mmHg at 25°C.
Uses of Methanone,1,1'-(1,3-phenylene)bis[1-phenyl-: it can be used to get 1,3-Bis(dichlorphenylmethyl)benzol. This reaction will need reagent PCl5. The reaction time is 1 hour at reaction temperature of 150 °C. The yield is about 64%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1)c3cccc(C(=O)c2ccccc2)c3
(2)InChI: InChI=1/C20H14O2/c21-19(15-8-3-1-4-9-15)17-12-7-13-18(14-17)20(22)16-10-5-2-6-11-16/h1-14H
(3)InChIKey: MJQHDSIEDGPFAM-UHFFFAOYAL