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Ethanone,2-bromo-1-(2,6-difluorophenyl)- (56159-89-8)

Identification
Name:Ethanone,2-bromo-1-(2,6-difluorophenyl)-
Synonyms:2,6-Difluorophenacylbromide;2-Bromo-1-(2,6-difluorophenyl)ethanone;2-Bromo-2',6'-difluoroacetophenone;2',6'-Difluorophenacyl bromide;
CAS:56159-89-8
Molecular Formula: C8H5BrF2O
Molecular Weight: 235.03
InChI: InChI=1/C8H5BrF2O/c9-4-7(12)8-5(10)2-1-3-6(8)11/h1-3H,4H2
Molecular Structure: (C8H5BrF2O) 2,6-Difluorophenacylbromide;2-Bromo-1-(2,6-difluorophenyl)ethanone;2-Bromo-2',6'-difluoroacetophenon...
Properties
Density:1.648g/cm3
Refractive index:1.529
Specification:

The 2',6'-Difluorophenacyl bromide with the CAS number 56159-89-8 is also called Ethanone,2-bromo-1-(2,6-difluorophenyl)-. Both the systematic name and IUPAC name are 2-bromo-1-(2,6-difluorophenyl)ethanone. Its molecular formula is C8H5BrF2O. This chemical is flammable and corrosive. While using this chemical, you should be very cautious.

The properties of the 2',6'-Difluorophenacyl bromide are: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.49; (4)ACD/LogD (pH 7.4): 1.49; (5)ACD/BCF (pH 5.5): 7.95; (6)ACD/BCF (pH 7.4): 7.95; (7)ACD/KOC (pH 5.5): 153.47; (8)ACD/KOC (pH 7.4): 153.47; (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: 1.529; (14)Molar Refractivity: 44 cm3; (15)Molar Volume: 142.5 cm3; (16)Polarizability: 17.44×10-24cm3; (17)Surface Tension: 40.1 dyne/cm; (18)Enthalpy of Vaporization: 47.07 kJ/mol; (19)Vapour Pressure: 0.0543 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1c(F)cccc1F)CBr
(2)InChI: InChI=1/C8H5BrF2O/c9-4-7(12)8-5(10)2-1-3-6(8)11/h1-3H,4H2
(3)InChIKey: UZKLFNHMBFDXEN-UHFFFAOYAL

Safety Data
 

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