2-Bromo-4-fluoroanisole

The 2-Bromo-4-fluoroanisole with CAS registry number of 452-08-4 is also known as Benzene, 2-bromo-4-fluoro-1-methoxy-. The systematic name and product name are the same. It belongs to product categories of Fluorobenzene; Anisoles, Alkyloxy Compounds & Phenylacetates; Bromine Compounds; Fluorine Compounds; Ethers; Organic Building Blocks; Oxygen Compounds. In addition, the formula is C₇H₆BrFO and the molecular weight is 205.02. This chemical is a clear slightly yellow liquid and should be sealed in cool, dry place and away from oxidizing agents.

Physical properties about 2-Bromo-4-fluoroanisole are: (1)ACD/LogP: 2.82; (2)ACD/LogD (pH 5.5): 2.82; (3)ACD/LogD (pH 7.4): 2.82; (4)ACD/BCF (pH 5.5): 82.15; (5)ACD/BCF (pH 7.4): 82.15; (6)ACD/KOC (pH 5.5): 816.74; (7)ACD/KOC (pH 7.4): 816.74; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.518; (11)Molar Refractivity: 40.61 cm³; (12)Molar Volume: 133.8 cm³; (13)Surface Tension: 33.3 dyne/cm; (14)Density: 1.531 g/cm³; (15)Flash Point: 98.3 °C; (16)Enthalpy of Vaporization: 49.13 kJ/mol; (17)Boiling Point: 273.6 °C at 760 mmHg; (18)Vapour Pressure: 0.00952 mmHg at 25 °C.

Preparation of 2-Bromo-4-fluoroanisole: it is prepared by reaction of 1-fluoro-4-methoxy-benzene. The reaction needs reagent 0.2 M (CH₃)₄Br and solvent liquid sulphur dioxide at the temperature of -23 °C. The yield is about 100%.

Uses of 2-Bromo-4-fluoroanisole: it is used to produce (5-fluoro-2-methoxy-phenyl)-(4-trifluoromethyl-phenyl)-methanone by reaction with 4-trifluoromethyl-benzonitrile. The reaction occurs with reagent Mg and solvent diethyl ether with other condition of heating for 2 hours. The yield is about 82%.

When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing. Avoid contact with skin and eyes. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1. SMILES: Brc1cc(F)ccc1OC
2. InChI: InChI=1/C7H6BrFO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,1H3
3. InChIKey: JIQXVIJARQLCOY-UHFFFAOYAH