1-Bromo-3-methyl-2-(trifluoromethyl)benzene supplier

Name
2-Bromo-6-methylbenzotrifluoride
EINECS
CAS No. 944268-56-8
Density 1.538 g/cm³
Solubility
Melting Point
Formula C₈H₆BrF₃
Boiling Point 190.002 °C at 760 mmHg
Molecular Weight 239.035
Flash Point 76.387 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Bromo-6-methylbenzotrifluoride;
PSA 0.00000
LogP 3.77630

1-Bromo-3-methyl-2-(trifluoromethyl)benzene Specification

The 1-Bromo-3-methyl-2-(trifluoromethyl)benzene, with the CAS registry number 944268-56-8, is also known as Benzene, 1-bromo-3-methyl-2-(trifluoromethyl)-. This chemical's molecular formula is C₈H₆BrF₃ and molecular weight is 239.04. What's more, its systematic name is 1-Bromo-3-methyl-2-(trifluoromethyl)benzene.

Physical properties of 1-Bromo-3-methyl-2-(trifluoromethyl)benzene are: (1)ACD/LogP: 3.909; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.91; (4)ACD/LogD (pH 7.4): 3.91; (5)ACD/BCF (pH 5.5): 550.65; (6)ACD/BCF (pH 7.4): 550.65; (7)ACD/KOC (pH 5.5): 3188.02; (8)ACD/KOC (pH 7.4): 3188.02; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.474; (13)Molar Refractivity: 43.748 cm³; (14)Molar Volume: 155.404 cm³; (15)Polarizability: 17.343×10^-24cm³; (16)Surface Tension: 26.5 dyne/cm; (17)Density: 1.538 g/cm³; (18)Flash Point: 76.387 °C; (19)Enthalpy of Vaporization: 40.876 kJ/mol; (20)Boiling Point: 190.002 °C at 760 mmHg; (21)Vapour Pressure: 0.8 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cccc(c1C(F)(F)F)Br
(2)Std. InChI: InChI=1S/C8H6BrF3/c1-5-3-2-4-6(9)7(5)8(10,11)12/h2-4H,1H3
(3)Std. InChIKey: BGTQSQRDRWEFPU-UHFFFAOYSA-N

Product Name

2-Bromo-6-methylbenzotrifluoride

1-Bromo-3-methyl-2-(trifluoromethyl)benzene Specification

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