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2-Chlorothiophene

Catalog Number
ACM96435-1
CAS Number
96-43-5
Product Name
2-Chlorothiophene
Structure
Category
Electroluminescence Materials
Synonyms
2-Thienyl chloride; Chlorothiophen
IUPAC Name
2-chlorothiophene
Molecular Weight
118.59g/mol
Molecular Formula
C4H3ClS
Canonical SMILES
C1=CSC(=C1)Cl
InChI
InChI=1S/C4H3ClS/c5-4-2-1-3-6-4/h1-3H
InChI Key
GSFNQBFZFXUTBN-UHFFFAOYSA-N
Boiling Point
128.3 °C
Melting Point
-71.9 °C
Flash Point
22.8°C
Density
1.305 g/cm³ at 25 °C(lit.)
Application
2-Chlorothiophene serves multiple purposes as a versatile heterocyclic compound within the thiophene group, existing as a colorless to light yellow liquid. It is utilized primarily as a reagent in chemical synthesis, particularly in the development of pharmaceutical products. The compound plays a crucial role in the preparation of 5-phenylthiophene derivatives and serves as an effective analgesic and anti-inflammatory agent, frequently employed in treating inflammatory bowel disease. Its synthesis can be achieved through methods such as the Suzuki coupling reaction with pyrimidine compounds, as well as via photoelectron or hydrochloric acid processes.
Complexity
46.8
Covalently-Bonded Unit Count
1
EC Number
202-505-3
Exact Mass
117.964399g/mol
Formal Charge
0
Heavy Atom Count
6
Log P
2.54 (LogP)
Monoisotopic Mass
117.964399g/mol
NSC Number
8747
Rotatable Bond Count
0
UNII
3EVV74IJN6
Vapor Pressure
23.76 mmHg
XLogP3
2.5
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