4-Fluoro-2-(trifluoromethyl)benzyl bromide

The Benzene,1-(bromomethyl)-4-fluoro-2-(trifluoromethyl)-, with the CAS registry number 206860-48-2, is also known as α-Bromo-4-fluoro-2-(trifluoromethyl)toluene. It belongs to the product categories of Fluoro-contained benzyl bromide series; Aromatic Halides (substituted). This chemical's molecular formula is C₈H₅BrF₄ and molecular weight is 257.02. What's more, its systematic name is 1-(bromomethyl)-4-fluoro-2-(trifluoromethyl)benzene. It should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from oxides, water and bases. It is used as a fluorine reagent in organic synthesis.

Physical properties of Benzene,1-(bromomethyl)-4-fluoro-2-(trifluoromethyl)- are: (1)ACD/LogP: 3.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.38; (4)ACD/LogD (pH 7.4): 3.38; (5)ACD/BCF (pH 5.5): 219.41; (6)ACD/BCF (pH 7.4): 219.41; (7)ACD/KOC (pH 5.5): 1649.97; (8)ACD/KOC (pH 7.4): 1649.97; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.472; (13)Molar Refractivity: 43.87 cm³; (14)Molar Volume: 156.6 cm³; (15)Polarizability: 17.39×10^-24cm³; (16)Surface Tension: 28 dyne/cm; (17)Density: 1.64 g/cm³; (18)Flash Point: 89 °C; (19)Enthalpy of Vaporization: 40.86 kJ/mol; (20)Boiling Point: 189.9 °C at 760 mmHg; (21)Vapour Pressure: 0.772 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You must take off immediately all contaminated clothing. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you need seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1c(cc(F)cc1)C(F)(F)F
(2)Std. InChI: InChI=1S/C8H5BrF4/c9-4-5-1-2-6(10)3-7(5)8(11,12)13/h1-3H,4H2
(3)Std. InChIKey: JMNOONULDANZRZ-UHFFFAOYSA-N