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4-Bromobenzo[b]thiophene

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4-Bromobenzo[b]thiophene Basic information

Product Name:
4-Bromobenzo[b]thiophene
Synonyms:
  • 4-BROMO-BENZO[B]THIOPHENE
  • 4-Bromobenzothiophene
  • 4-BROMO-1-BENZOTHIOPHENE
  • 4-Bromothianaphthene
  • 5-cyanobenzothiophene
  • 4-bromo-thiophene
  • Benzo[b]thiophene,4-broMo-
  • 4-Bromo-1-benzothiophene, 4-Bromothianaphthene
CAS:
5118-13-8
MF:
C8H5BrS
MW:
213.09
EINECS:
814-115-6
Product Categories:
  • Benzothiophene
  • Halogenated
  • Organohalides
Mol File:
5118-13-8.mol
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4-Bromobenzo[b]thiophene Chemical Properties

Boiling point:
144 °C(Press: 20 Torr)
Density 
1.649±0.06 g/cm3(Predicted)
storage temp. 
2-8°C(protect from light)
form 
solid
color 
White to off-white
InChI
InChI=1S/C8H5BrS/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5H
InChIKey
QPBSEYFVZDMBFW-UHFFFAOYSA-N
SMILES
C12=CC=CC(Br)=C1C=CS2
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Safety Information

Hazard Codes 
Xi
Hazard Note 
Irritant
HS Code 
2934999090
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4-Bromobenzo[b]thiophene Usage And Synthesis

Synthesis

The traditional synthesis method is to take 2-bromo-6-fluorobenzaldehyde as a raw material, cyclize the raw material with mercaptoacetic acid in a DMF solvent to obtain 4-chlorobenzo [b] thiophene-2-carboxylic acid, and then decarboxylate the product at a high temperature in a quinoline/copper powder system to obtain the 4-chlorobenzo [b] thiophene. 

Uses

4-Bromobenzo[b]thiophene is an important intermediate in the drug ipiprazole for the treatment of schizophrenia.

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