3-(Trifluoromethoxy)bromobenzene

The Benzene,1-bromo-3-(trifluoromethoxy)-, with the CAS registry number 2252-44-0, is also known as m-Bromo(trifluoromethoxy)benzene. It belongs to the product categories of Trifluoroanisole series; Fluorobenzene; Halides; Aromatic Ethers; Phenyls & Phenyl-Het; Miscellaneous; Ethers; Organic Building Blocks; Oxygen Compounds. This chemical's molecular formula is C₇H₄BrF₃O and molecular weight is 241.01. What's more, its systematic name is 1-bromo-3-(trifluoromethoxy)benzene. It should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxidants.

Physical properties of Benzene,1-bromo-3-(trifluoromethoxy)- are: (1)ACD/LogP: 4.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.06; (4)ACD/LogD (pH 7.4): 4.06; (5)ACD/BCF (pH 5.5): 718.06; (6)ACD/BCF (pH 7.4): 718.06; (7)ACD/KOC (pH 5.5): 3855.15; (8)ACD/KOC (pH 7.4): 3855.15; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.474; (14)Molar Refractivity: 41.07 cm³; (15)Molar Volume: 146 cm³; (16)Polarizability: 16.28×10^-24cm³; (17)Surface Tension: 28.7 dyne/cm; (18)Density: 1.65 g/cm³; (19)Flash Point: 62.8 °C; (20)Enthalpy of Vaporization: 38.21 kJ/mol; (21)Boiling Point: 161.9 °C at 760 mmHg; (22)Vapour Pressure: 2.9 mmHg at 25°C.

Uses of Benzene,1-bromo-3-(trifluoromethoxy)-: it can be used to produce 3-(trifluoromethoxy)phenylboronic acid at the temperature of -75 °C. It will need reagents butyllithium, fluorodimethoxyborane diethyl ether, H₂O and solvents diethyl ether, hexane with the reaction time of 1 hour. The yield is about 72%.

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

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(OC(F)(F)F)ccc1
(2)Std. InChI: InChI=1S/C7H4BrF3O/c8-5-2-1-3-6(4-5)12-7(9,10)11/h1-4H
(3)Std. InChIKey:WVUDHWBCPSXAFN-UHFFFAOYSA-N