3,5-Bis(trifluoromethyl)bromobenzene

The 3,5-Bis(trifluoromethyl)bromobenzene with cas registry number of 328-70-1 belongs to the classes of Fluorides; Trifluoromethylbenzene serise; Fluorobenzene; Aromatic Hydrocarbons (substituted) & Derivatives; API intermediates; Miscellaneous. Both its systematic name and IUPAC name are the same which is called 1-bromo-3,5-bis(trifluoromethyl)benzene. It has the appearance of clear colourless to slightly yellow liquid with EINECS registry number of 206-334-5.

The physical properties about this chemical are: (1)ACD/LogP: 3.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.8; (4)ACD/LogD (pH 7.4): 3.8; (5)ACD/BCF (pH 5.5): 453.5; (6)ACD/BCF (pH 7.4): 453.5; (7)ACD/KOC (pH 5.5): 2774.46; (8)ACD/KOC (pH 7.4): 2774.46; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.422; (13)Molar Refractivity: 43.9 cm³; (14)Molar Volume: 172.6 cm³; (15)Surface Tension: 21.6 dyne/cm; (16)Density: 1.697 g/cm³; (17)Flash Point: 39.9 °C; (18)Enthalpy of Vaporization: 37.47 kJ/mol; (19)Boiling Point: 154 °C at 760 mmHg; (20)Vapour Pressure: 4.17 mmHg at 25°C ; (21)Refractive index: 1.426-1.428.

Preparation of 3,5-Bis(trifluoromethyl)bromobenzene: it can be made by isophthalic acid with reagents of SF₄, HF, Br₂ at temperature 120 ℃. The reaction time is 12 hours with 93% yield.

Uses of 3,5-Bis(trifluoromethyl)bromobenzene: it can react with benzophenone to produce (3,5-bis-trifluoromethyl-phenyl)-diphenyl-methanol with reagent BuLi and solvent Diethyl ether. The yield is 76%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. Therefore, wear suitable protective clothing, gloves and eye/face protection during using it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(cc(Br)c1)C(F)(F)F;
(2)InChI: InChI=1/C8H3BrF6/c9-6-2-4(7(10,11)12)1-5(3-6)8(13,14)15/h1-3H;
(3)InChIKey: CSVCVIHEBDJTCJ-UHFFFAOYAD