2-FLUORO-3-(TRIFLUOROMETHYL)BENZYL BROMIDE

The Benzene,1-(bromomethyl)-2-fluoro-3-(trifluoromethyl)-, with CAS registry number 184970-25-0, belongs to the following product categories: (1)Fluoro-contained benzyl bromide series; (2)Aryl; (3)C8; (4)Halogenated Hydrocarbons. It has the systematic name of 1-(bromomethyl)-2-fluoro-3-(trifluoromethyl)benzene. This chemical is a kind of white to light yellow crystal powder.

Physical properties of Benzene,1-(bromomethyl)-2-fluoro-3-(trifluoromethyl)-: (1)ACD/LogP: 3.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.57; (4)ACD/LogD (pH 7.4): 3.57; (5)ACD/BCF (pH 5.5): 301.86; (6)ACD/BCF (pH 7.4): 301.86; (7)ACD/KOC (pH 5.5): 2073.24; (8)ACD/KOC (pH 7.4): 2073.24; (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: 1.472; (14)Molar Refractivity: 43.87 cm³; (15)Molar Volume: 156.6 cm³; (16)Polarizability: 17.39×10^-24cm³; (17)Surface Tension: 28 dyne/cm; (18)Enthalpy of Vaporization: 41.78 kJ/mol; (19)Vapour Pressure: 0.483 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Benzene,1-(bromomethyl)-2-fluoro-3-(trifluoromethyl)- may cause burns. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. After use it, take off immediately all contaminated clothing. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1cccc(c1F)C(F)(F)F
(2)InChI: InChI=1/C8H5BrF4/c9-4-5-2-1-3-6(7(5)10)8(11,12)13/h1-3H,4H2
(3)InChIKey: QBEHXDXQUVMEQX-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C8H5BrF4/c9-4-5-2-1-3-6(7(5)10)8(11,12)13/h1-3H,4H2
(5)Std. InChIKey: QBEHXDXQUVMEQX-UHFFFAOYSA-N