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2-Bromo-3-fluoroanisole

2-Bromo-3-fluoroanisole structure

CAS No:
446-59-3
Formula:
C7H6BrFO
Chemical Name:
2-Bromo-3-fluoroanisole
Synonyms:
2-BROMO-3-FLUOROANISOLE;2-Bromo-3-fluoroanisole99%;2-Bromo-3-fluoroanisole99%;REFDUPL:2-bromo-3-fluoroanisole;BENZENE,2-BROMO-1-FLUORO-3-METHOXY;2-Bromo-1-fluoro-3-methoxy-benzene;2-Bromo-1-fluoro-3-methoxybenzene,2-Bromo-3-fluorophenylmethylether
Categories:
Organic Chemistry > Organic Fluorine Compound

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2-Bromo-3-fluoroanisole Basic Attributes

Molecular Weight：

205.02

Exact Mass：

203.958603

DSSTox ID：

DTXSID20381383

HScode：

2909309090

Characteristics

PSA：

9.2

XLogP3：

2.7

Density：

1.5±0.1 g/cm3

Boiling Point：

189.2ºC at 760mmHg

Flash Point：

81.1±6.0 °C

Refractive Index：

1.519

Vapor Pressure：

0.577mmHg at 25°C

Safety Information

Hazard category：

IRRITANT

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

2-Bromo-3-fluoroanisole Use and Manufacturing

General procedure: To a solution of 2-bromo-4-fluorophenol (0.1 mol) in DMF (100 ml) was added KThe 3-fluoro anisole (15 g, 119 mmol) was placed in THF (300 mL) and cooled to about -78° C., and then n-BuLi (89 mL 1.6 M in hexanes) was added while maintaining the temperature at around -70° C. The mixture was stirred for about 15 minutes, and bromine (18.9 g, 119 mmol) was added over 10 minutes. The mixture was warmed to r.t. and stirred overnight. The mixture was quenched with water, diluted with ether (500 mL) and partitioned between water/ether (1/1 300 mL). The water layer was back extracted with ether (250 mL), and the combined organic fractions were dried, filtered and concentrated. The dark residue was distilled under house vacuum (product 115-130° C.) to recover about 13.8 g of the product as a gray oil (57percent/).A mixture of

Computed Properties

Molecular Weight:205.02
XLogP3:2.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:203.95861
Monoisotopic Mass:203.95861
Topological Polar Surface Area:9.2
Heavy Atom Count:10
Complexity:110
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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