1-Bromo-3-(difluoromethyl)-5-fluorobenzene supplier

Name
1-BROMO-3-DIFLUOROMETHYL-5-FLUOROBENZENE
EINECS
CAS No. 627526-90-3
Article Data5
CAS DataBase
Density 1.633 g/cm³
Solubility
Melting Point
Formula C₇H₄BrF₃
Boiling Point 191.834 °C at 760 mmHg
Molecular Weight 225.008
Flash Point 77.885 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-BROMO-3-DIFLUOROMETHYL-5-FLUOROBENZENE;BENZENE, 1-BROMO-3-(DIFLUOROMETHYL)-5-FLUORO-;3-BroMo-5-fluorodifluoroMethylbenzene
PSA 0.00000
LogP 3.52580

1-Bromo-3-(difluoromethyl)-5-fluorobenzene 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

Product Name

1-BROMO-3-DIFLUOROMETHYL-5-FLUOROBENZENE

1-Bromo-3-(difluoromethyl)-5-fluorobenzene Specification

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