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2-BROMO-1-BENZOFURAN

2-BROMO-1-BENZOFURAN structure

CAS No:
54008-77-4
Formula:
C8H5BrO
Chemical Name:
2-BROMO-1-BENZOFURAN
Synonyms:
2-BROMO-1-BENZOFURAN;2-BROMOBENZOFURAN;2-Bromo-1-benzofurane;2-Bromo-1-benzofuran, 90+%;2-Bromobenzo[b]furan;Benzofuran, 2-broMo-;2-Bromobenzo[b]furan 90%;2-Bromo-1-benzofuran:2-bromobenzofuran
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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2-BROMO-1-BENZOFURAN Basic Attributes

Molecular Weight：

197.03

Exact Mass：

195.952377

DSSTox ID：

DTXSID50379935

HScode：

2932999099

Characteristics

PSA：

13.1

XLogP3：

3.6

Density：

1.6±0.1 g/cm3

Melting Point：

247-247.5 °C

Boiling Point：

234℃

Flash Point：

95℃

Refractive Index：

1.639

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26-S37/39

Marks：

Xi:Irritant;

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-BROMO-1-BENZOFURAN Use and Manufacturing

2-bromobenzofuran. To a solution of 2-(2, 2-dibromovinyl)phenol (2.8 g, 10 mmol) in tetrahydrofuran (30 mL) was added copper(I) iodide (0.1 g, 0.5 mmol) and potassium phosphate (4.2 g, 20 mmol). The reaction mixture was stirred at 80°C under nitrogen atmosphere for 12 hours. After the reaction, the mixture was poured into water (200 mL) and the mixture was extracted with ethyl acetate (200 mL). The organic phase was dried over anhydrous sodium sulfate and then filtered. The filtrate was concentrated and the residue was purified by column chromatography (silica gel, ethyl acetate/petroleum ether = 1 :20) to give the pure product 2- bromobenzofuran (1.8 g, 92percent).To a solution of 2-(2, 2-dibromovinyl)phenol (2.8 g, 10 mmol) in tetrahydrofuran (30 mL) was added copper (I) iodide (0.1 g, 0.5 mmol) and potassium phosphate (4.2 g, 20 mmol). The reaction mixture was stirred at 80° C. under nitrogen atmosphere for 12 hours. After the reaction, the mixture was poured into water (200 mL) and the mixture was extracted with ethyl acetate (200 mL). The organic phase was dried over anhydrous sodium sulfate and then filtered. The filtrate was concentrated and the residue was purified by column chromatography (silica gel, ethyl acetate/petroleum ether=1:20) to give the pure product 2-bromobenzofuran (1.8 g, 92percent).

Computed Properties

Molecular Weight:197.03
XLogP3:3.6
Hydrogen Bond Acceptor Count:1
Exact Mass:195.95238
Monoisotopic Mass:195.95238
Topological Polar Surface Area:13.1
Heavy Atom Count:10
Complexity:126
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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