4-METHYL-3-(TRIFLUOROMETHYL)BROMOBENZENE

The Benzene, 4-bromo-1-methyl-2-(trifluoromethyl)-, with the CAS registry number of 86845-27-4, is also known as 4-Brom-1-methyl-2-(trifluormethyl)benzol. It belongs to the product categories of Trifluoromethylbenzene Serise. This chemical's molecular formula is C₈H₆BrF₃ and molecular weight is 239.03. What's more, its IUPAC name is 4-Bromo-1-methyl-2-(trifluoromethyl)benzene.

Physical properties about Benzene, 4-bromo-1-methyl-2-(trifluoromethyl)- are: (1)ACD/LogP: 3.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.71; (4)ACD/LogD (pH 7.4): 3.71; (5)ACD/BCF (pH 5.5): 391.51; (6)ACD/BCF (pH 7.4): 391.51; (7)ACD/KOC (pH 5.5): 2497.42; (8)ACD/KOC (pH 7.4): 2497.42; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.474; (14)Molar Refractivity: 43.74 cm³; (15)Molar Volume: 155.4 cm³; (16)Surface Tension: 26.5 dyne/cm; (17)Density: 1.538 g/cm³; (18)Flash Point: 69.7 °C; (19)Enthalpy of Vaporization: 40.09 kJ/mol; (20)Boiling Point: 181.8 °C at 760 mmHg; (21)Vapour Pressure: 1.14 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is flammable, and it may catch fire in contact with an ignition source. Hence, keep it away from sources of ignition.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc(c(cc1)C)C(F)(F)F
(2) InChI: InChI=1/C8H6BrF3/c1-5-2-3-6(9)4-7(5)8(10,11)12/h2-4H,1H3
(3) InChIKey: IZFVIEYHUOUPPH-UHFFFAOYAS