CAS 14282-76-9 2-Bromo-3-methylthiophene - Materials / Alfa Chemistry

NAVIGATION

2-Bromo-3-methylthiophene

PRICE INQUIRY

Catalog Number

ACM14282769-1

CAS Number

14282-76-9

Product Name

2-Bromo-3-methylthiophene

Structure

Category

Electroluminescence Materials; Other Electronic Materials

Synonyms

Thiophene, 2-bromo-3-methyl-

IUPAC Name

2-bromo-3-methylthiophene

Molecular Weight

177.06g/mol

Molecular Formula

C5H5BrS

Canonical SMILES

CC1=C(SC=C1)Br

InChI

InChI=1S/C5H5BrS/c1-4-2-3-7-5(4)6/h2-3H,1H3

InChI Key

YYJBWYBULYUKMR-UHFFFAOYSA-N

Boiling Point

176.0 °C

Flash Point

68 °C

Purity

98%

Density

1.572 g/mL at 25 °C(lit.)

Appearance

Colorless Clear Liquid

Application

2-Bromo-3-methylthiophene is a versatile compound that serves multiple purposes in the field of chemistry and pharmaceuticals. This clear to light yellow liquid is instrumental in the synthesis of poly(3,3'''-dimethyl-(2,2':5',2':5',2''')tetrathiophene) and 2-bromo-3-(bromomethyl)thiophene, the latter being known for its lachrymatory properties. In the pharmaceutical industry, 2-Bromo-3-methylthiophene is utilized as an intermediate in the development of significant compounds. It plays a crucial role in crafting pyrazolo[3,4-d]pyrimidine derivatives, which are potent inhibitors of various viruses, including human enterovirus, coxsackievirus, echovirus, influenza virus, herpes simplex virus, and rhinovirus. Additionally, it is used in the synthesis of oral α7 nicotinic receptor agonists, highlighting its importance in advancing medical research and treatment options.

Complexity

65.1

Covalently-Bonded Unit Count

EC Number

238-175-2

Exact Mass

175.92953g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

175.92953g/mol

Rotatable Bond Count