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2-Bromo-4-fluoroanisole

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Name

2-Bromo-4-fluoroanisole

EINECS -0
CAS No. 452-08-4 Density 1.531 g/cm3
PSA 9.23000 LogP 2.59680
Solubility N/A Melting Point N/A
Formula C7H6BrFO Boiling Point 273.6 °C at 760 mmHg
Molecular Weight 205.026 Flash Point 98.3 °C
Transport Information N/A Appearance Clear slightly yellow liquid
Safety 26-36-24/25 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 452-08-4 (2-Bromo-4-fluoroanisole) Hazard Symbols IrritantXi
Synonyms

2-Bromo-4-fluoro-1-methoxy-benzene;2,4-Difluorobenzylchloride;Benzene, 2-bromo-4-fluoro-1-methoxy-;2-Bromo-4-fluoroanisole 97%;

Article Data 10

2-Bromo-4-fluoroanisole Specification

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%.

2-Bromo-4-fluoroanisole is prepared by reaction of 1-fluoro-4-methoxy-benzene.

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%.

2-Bromo-4-fluoroanisole is used to produce (5-fluoro-2-methoxy-phenyl)-(4-trifluoromethyl-phenyl)-methanone by reaction with 4-trifluoromethyl-benzonitrile.

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

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