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CAS No.: | 4659-48-7 |
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Name: | 3,3',4,4'-TETRAMETHYL BENZOPHENONE |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C17H18O |
Molecular Weight: | 238.329 |
Synonyms: | Benzophenone,3,3',4,4'-tetramethyl- (6CI,7CI,8CI);3,3',4,4'-Tetramethylbenzophenone;3,4,3',4'-Tetramethylbenzophenone; |
Density: | 1.024 g/cm3 |
Melting Point: | 140 °C |
Boiling Point: | 387.6 °C at 760 mmHg |
Flash Point: | 168.6 °C |
PSA: | 17.07000 |
LogP: | 4.15120 |
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The Methanone, bis(3, 4-dimethylphenyl)-, with the CAS registry number of 4659-48-7, is also known as 1-(3, 4-Dimethylbenzoyl)-3, 4-dimethylbenzene. This chemical's molecular formula is C17H18O and molecular weight is 238.3242. What's more, its IUPAC name is Bis(3, 4-dimethylphenyl)methanone.
Physical properties about Methanone, bis(3, 4-dimethylphenyl)- are: (1)ACD/LogP: 5.02; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.02; (4)ACD/LogD (pH 7.4): 5.02; (5)ACD/BCF (pH 5.5): 3849.75; (6)ACD/BCF (pH 7.4): 3849.75; (7)ACD/KOC (pH 5.5): 12824.68; (8)ACD/KOC (pH 7.4): 12824.68; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.561; (14)Molar Refractivity: 75.34 cm3; (15)Molar Volume: 232.6 cm3; (16)Surface Tension: 37.9 dyne/cm; (17)Density: 1.024 g/cm3; (18)Flash Point: 168.6 °C; (19)Enthalpy of Vaporization: 63.67 kJ/mol; (20)Boiling Point: 387.6 °C at 760 mmHg; (21)Vapour Pressure: 3.25E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1cc(c(cc1)C)C)c2ccc(c(c2)C)C
(2) InChI: InChI=1/C17H18O/c1-11-5-7-15(9-13(11)3)17(18)16-8-6-12(2)14(4)10-16/h5-10H,1-4H3
(3) InChIKey: FKFVCCPWFITRSN-UHFFFAOYAP