Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 76680Generated: October 23, 2026

3-(Chloromethyl)benzo(b)thiophene

3-(chloromethyl)benzothiophene · 3-(chloromethyl)benzo[b]thiophene · 2-Chloro-3-methylbenzo(b)thiophene · Benzo[b]thiophene, 3-(chloromethyl)-

https://huagongshe.com/en/chemical/76680

3-(Chloromethyl)benzo(b)thiophene molecular structure

Identifiers & Physical Properties

CAS No.3216-47-5
Molecular formulaC9H7ClS
Average molar mass182.67 g/mol
Monoisotopic mass181.9956989 g/mol
SMILESClCc1csc2ccccc12
InChIKeyJIXGRXJTSCZWNB-UHFFFAOYSA-N
PubChem CID76680
EC No.221-732-9
DTXSIDDTXSID80185945

Chemical & Physical Properties

XLogP3.3
Topological polar surface area28.2
Hydrogen bond donors0
Hydrogen bond acceptors1
Rotatable bonds1
Heavy atoms11
Formal charge0
Complexity138
Melting point40 °C
Boiling point129-131 °C(Press: 5.0 Torr)
Density1.298±0.06 g/cm3(Predicted)
FDA UNII48GAW2Q2G8