ChemicalBook--->CAS DataBase List--->59214-70-9

59214-70-9

59214-70-9 Structure

59214-70-9 Structure
IdentificationBack Directory
[Name]

3-BROMO-1-BENZOFURAN
[CAS]

59214-70-9
[Synonyms]

3-BroMobenzofuran
Benzofuran, 3-broMo-
bromo-3 benzofuranne
3-BROMO-1-BENZOFURAN
3-Bromobenzo[b]furan
3-Bromo-1-benzofurane
3-Bromobenzo[b]furan 97%
3-Bromo-1-benzofuran ,97%
3-Bromo-1-Benzofuran,>95%
3-bromo-1-benzofuran USP/EP/BP
[Molecular Formula]

C8H5BrO
[MDL Number]

MFCD01029425
[MOL File]

59214-70-9.mol
[Molecular Weight]

197.03
Chemical PropertiesBack Directory
[Melting point ]

35 °C
[Boiling point ]

110
[density ]

1.608±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Store in freezer, under -20°C
[form ]

solid
[color ]

Yellow
[InChI]

InChI=1S/C8H5BrO/c9-7-5-10-8-4-2-1-3-6(7)8/h1-5H
[InChIKey]

ICJNAOJPUTYWNV-UHFFFAOYSA-N
[SMILES]

O1C2=CC=CC=C2C(Br)=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[Risk Statements ]

36-36/37/38-22
[Safety Statements ]

26-36/37/39-22
[RIDADR ]

UN2811
[WGK Germany ]

WGK 3
[Hazard Note ]

Harmful
[HazardClass ]

IRRITANT
[HS Code ]

29321900
[Storage Class]

6.1D - Non-combustible acute toxic Cat.3
toxic hazardous materials or hazardous materials causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Eye Irrit. 2
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Bromine-->n-Butyllithium-->Benzofuran-->2,3-dibromo-2,3-dihydro-benzo[b]furan-->2,3-Dibromobenzofuran-->Ethanol-->Potassium hydroxide
[Preparation Products]

2-ETHYNYL-PHENOL
Hazard InformationBack Directory
[Chemical Properties]

White solid
[Synthesis]

2,3-dibromo-2,3-dihydro-benzo[b]furan

109210-15-3

3-BROMO-1-BENZOFURAN

59214-70-9

The general procedure for the synthesis of 3-bromo-1-benzofuran from the compound (CAS: 109210-15-3) was as follows: first, potassium hydroxide pellets (9.3 g, 165 mmol) were dissolved in ethanol (40 mL) and the solution was cooled to 0 °C. Subsequently, 2,3-dibromo-2,3-dihydrobenzo[b]furan (23.0 g, 82.7 mmol) was dissolved in pre-cooled ethanol (90 mL) and the solution was added dropwise to the ethanol solution of potassium hydroxide at a constant temperature of 0 °C. After the dropwise addition, the reaction mixture was heated to reflux for 2 hours. After completion of the reaction, the mixture was concentrated under vacuum and then diluted by adding water (100 mL). The aqueous layer was extracted with ethyl acetate (3 × 100 mL). All organic phases were combined and washed with brine (100 mL), followed by drying with anhydrous magnesium sulfate and final concentration to give 14.7 g (90% yield) of the target product 3-bromo-1-benzofuran as an oil.

[References]

[1] Patent: US2006/287386, 2006, A1. Location in patent: Page/Page column 17
[2] Chemistry - A European Journal, 2015, vol. 21, # 7, p. 3115 - 3128
Questions And AnswerBack Directory
[Application]

3-Bromo-1-benzofuran can be used as an organic synthesis intermediate and a pharmaceutical intermediate, mainly in laboratory research and development processes and chemical production processes.
Spectrum DetailBack Directory
[Spectrum Detail]

3-BROMO-1-BENZOFURAN(59214-70-9)1HNMR
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