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106224

3-Bromothiophene

97%

Synonym(s):

3-Thienyl bromide

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About This Item

Empirical Formula (Hill Notation):
C4H3BrS
CAS Number:
872-31-1
Molecular Weight:
163.04
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24846726
EC Number:
212-821-3
Beilstein/REAXYS Number:
105338
MDL number:
MFCD00005464
Assay:
97%
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Quality Segment

100

assay

97%

refractive index

n20/D 1.591 (lit.)

bp

150 °C (lit.)

density

1.74 g/mL at 25 °C (lit.)

functional group

bromo

SMILES string

Brc1ccsc1

InChI

1S/C4H3BrS/c5-4-1-2-6-3-4/h1-3H

InChI key

XCMISAPCWHTVNG-UHFFFAOYSA-N

Application

3-Bromothiophene can be used as a reactant to synthesize:
  • 3,3-Bithiophene via borylation followed by Suzuki coupling.
  • 3-Alkylthiophenes by NiDPPP++ catalyzed cross-coupling with Grignard reagents.
  • 3-Lithiothiophene by treating with n-butyllithium in hexane.
  • Derivatives of thienylenic α, ω−diformyl−α−oligothiophenes.
  • N-(2-(3-bromothiophen-2-yl)phenyl)methanesulfonamides by coupling at the 2-position with N-arylmethanesulfonamides, mediated by iodobenzene diacetate (178721).

signalword

Danger

Hazard Classifications

Acute Tox. 1 Inhalation - Acute Tox. 2 Dermal - Acute Tox. 3 Oral - Aquatic Chronic 2 - Eye Irrit. 2 - Flam. Liq. 3 - Skin Sens. 1 - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

125.6 °F - closed cup

flash_point_c

52 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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