4-Bromo-2-difluoromethyl-1-fluorobenzene supplier

Name
4-Bromo-2-difluoromethyl-1-fluorobenzene
EINECS
CAS No. 445303-69-5
Article Data4
CAS DataBase
Density 1.633 g/cm³
Solubility
Melting Point
Formula C₇H₄BrF₃
Boiling Point 188.2 °C at 760 mmHg
Molecular Weight 225.008
Flash Point 74.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Bromo-2-fluoro-(difluoromethyl)-benzene;
PSA 0.00000
LogP 3.52580

4-Bromo-2-difluoromethyl-1-fluorobenzene Specification

IUPAC name of this chemical is 4-Bromo-2-(difluoromethyl)-1-fluorobenzene and its CAS registry number is 445303-69-5. This chemical is also known as 5-Bromo-2-fluoro-(difluoromethyl)-benzene. Its molecular formula is C₇H₄BrF₃ and molecular weight is 225.01.

Physical properties about the 4-Bromo-2-(difluoromethyl)-1-fluorobenzene are: (1)ACD/LogP: 3.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.35; (4)ACD/LogD (pH 7.4): 3.35; (5)ACD/BCF (pH 5.5): 206.84; (6)ACD/BCF (pH 7.4): 206.84; (7)ACD/KOC (pH 5.5): 1581.75; (8)ACD/KOC (pH 7.4): 1581.75; (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: 1.48; (14)Molar Refractivity: 39.18 cm³; (15)Molar Volume: 137.7 cm³; (16)Surface Tension: 28.8 dyne/cm; (17)Density: 1.633 g/cm³; (18)Flash Point: 74.9 °C; (19)Enthalpy of Vaporization: 40.7 kJ/mol; (20)Boiling Point: 188.2 °C at 760 mmHg; (21)Vapour Pressure: 0.838 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1c(cc(Br)cc1)C(F)F
(2) InChI: InChI=1/C7H4BrF3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,7H
(3) InChIKey: YHQZVEGLXIBPRA-UHFFFAOYAZ

Product Name

4-Bromo-2-difluoromethyl-1-fluorobenzene

4-Bromo-2-difluoromethyl-1-fluorobenzene Specification

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