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| CAS No.: | 627526-90-3 |
|---|---|
| Name: | 1-BROMO-3-DIFLUOROMETHYL-5-FLUOROBENZENE |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C7H4BrF3 |
| Molecular Weight: | 225.008 |
| Synonyms: | 1-BROMO-3-DIFLUOROMETHYL-5-FLUOROBENZENE;BENZENE, 1-BROMO-3-(DIFLUOROMETHYL)-5-FLUORO-;3-BroMo-5-fluorodifluoroMethylbenzene |
| Density: | 1.633 g/cm3 |
| Boiling Point: | 191.834 °C at 760 mmHg |
| Flash Point: | 77.885 °C |
| PSA: | 0.00000 |
| LogP: | 3.52580 |
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- Total:22 Page 1 of 1 1
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Specification
The 1-Bromo-3-(difluoromethyl)-5-fluorobenzene, with the CAS registry number 627526-90-3, is also known as Benzene, 1-bromo-3-(difluoromethyl)-5-fluoro-. This chemical's molecular formula is C7H4BrF3 and molecular weight is 225.01. What's more, its systematic name is 1-Bromo-3-(difluoromethyl)-5-fluorobenzene.
Physical properties of 1-Bromo-3-(difluoromethyl)-5-fluorobenzene are: (1)ACD/LogP: 3.405; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.41; (4)ACD/LogD (pH 7.4): 3.41; (5)ACD/BCF (pH 5.5): 227.94; (6)ACD/BCF (pH 7.4): 227.94; (7)ACD/KOC (pH 5.5): 1695.66; (8)ACD/KOC (pH 7.4): 1695.66; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.481; (14)Molar Refractivity: 39.184 cm3; (15)Molar Volume: 137.782 cm3; (16)Polarizability: 15.534×10-24cm3; (17)Surface Tension: 28.9 dyne/cm; (18)Density: 1.633 g/cm3; (19)Flash Point: 77.885 °C; (20)Enthalpy of Vaporization: 41.051 kJ/mol; (21)Boiling Point: 191.834 °C at 760 mmHg; (22)Vapour Pressure: 0.7 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(cc(Br)c1)C(F)F
(2)Std. InChI: InChI=1S/C7H4BrF3/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,7H
(3)Std. InChIKey: OPTDWHOFDCKSSE-UHFFFAOYSA-N