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About This Item
Empirical Formula (Hill Notation):
C5H5BrS
CAS Number:
Molecular Weight:
177.06
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
238-175-2
MDL number:
Product Name
2-Bromo-3-methylthiophene, 95%
InChI key
YYJBWYBULYUKMR-UHFFFAOYSA-N
InChI
1S/C5H5BrS/c1-4-2-3-7-5(4)6/h2-3H,1H3
SMILES string
Cc1ccsc1Br
assay
95%
refractive index
n20/D 1.572 (lit.)
bp
173-176 °C (lit.)
density
1.572 g/mL at 25 °C (lit.)
functional group
bromo
storage temp.
2-8°C
Application
2-Bromo-3-methylthiophene was used in the preparation of poly(3,3′′′-dimethyl-(2,2′:5′,2′:5′,2′′′)tetrathiophene)). It was also used in the preparation of 2-bromo-3-(bromomethyl)thiophene, lachrymatory compound.
General description
2-Bromo-3-methylthiophene is formed (approx. 90%) by bromination of 3-methyl thiophene with N-bromosuccinimide in the absence of benzoyl peroxide.
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Eye Dam. 1
Storage Class
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 3
flash_point_f
154.4 °F - closed cup
flash_point_c
68 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
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Structural studies of poly (dimethyl-tetrathiophene, an intermediate between poly (thiophene) and poly (3-methylthiophene).
Fell HJ, et al.
Synthetic Metals, 55(1), 420-425 (1993)
The Effect of Benzoyl Peroxide on the Bromination of Methylthiophenes by N-Bromosuccinimide
Dittmer K, et al.
Journal of the American Chemical Society, 71(4), 1201-1204 (1949)
Regioregular poly (thiophene-3-alkanoic acid) s: water soluble conducting polymers suitable for chromatic chemosensing in solution and solid state.
Ewbank PC, et al.
Tetrahedron, 60(49), 11269-11275 (2004)
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