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CAS No.: | 36897-00-4 |
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Name: | 2,4,5-trimethoxybenzophenone |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C16H16O4 |
Molecular Weight: | 272.301 |
Synonyms: | 2,4,5-Trimethoxybenzophenone;Phenyl(2,4,5-trimethoxyphenyl)methanone; |
EINECS: | 253-262-5 |
Density: | 1.136 g/cm3 |
Boiling Point: | 444 °C at 760 mmHg |
Flash Point: | 198 °C |
PSA: | 44.76000 |
LogP: | 2.94340 |
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The CAS registry number of Methanone,phenyl(2,4,5-trimethoxyphenyl)- is 36897-00-4. Its EINECS registry number is 253-262-5. The IUPAC name is phenyl-(2,4,5-trimethoxyphenyl)methanone. In addition, the molecular formula is C16H16O4 and the molecular weight is 272.30. It is also called 2,4,5-Trimethoxybenzophenone. What's more, it should be stored in a cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP: 3.21; (2)ACD/LogD (pH 5.5): 3.21; (3)ACD/LogD (pH 7.4): 3.21; (4)ACD/BCF (pH 5.5): 160.72; (5)ACD/BCF (pH 7.4): 160.72; (6)ACD/KOC (pH 5.5): 1320.42; (7)ACD/KOC (pH 7.4): 1320.42; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 44.76 Å2; (11)Index of Refraction: 1.547; (12)Molar Refractivity: 76.08 cm3; (13)Molar Volume: 239.5 cm3; (14)Polarizability: 30.16 ×10-24cm3; (15)Surface Tension: 38.5 dyne/cm; (16)Density: 1.136 g/cm3; (17)Flash Point: 198 °C; (18)Enthalpy of Vaporization: 70.17 kJ/mol; (19)Boiling Point: 444 °C at 760 mmHg; (20)Vapour Pressure: 4.43E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1c(OC)cc(OC)c(OC)c1)c2ccccc2
(2)InChI: InChI=1/C16H16O4/c1-18-13-10-15(20-3)14(19-2)9-12(13)16(17)11-7-5-4-6-8-11/h4-10H,1-3H3
(3)InChIKey: CWXBRVFPEIGVSF-UHFFFAOYAN