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CAS Number: 75444-80-3
2-(benzo[b]thiophen-2-yl)acetonitrile

Structure

 2-(benzo[b]thiophen-2-yl)acetonitrile
Name: 2-(benzo[b]thiophen-2-yl)acetonitrile
Synonyms:
General Information
Product Number: 75444803

CAS Registry Number 75444-80-3
Name:
Benzo[b]​thiophene-​2-​acetonitrile

 

Chemical Formula: C10H7NS
Exact Mass: 173.03
Molecular Weight: 173.23
m/z: 173.03 (100.0%), 174.03 (12.0%), 175.03 (4.6%)

 

InChI:InChI=1S/C10H7NS/c11-6-5-9-7-8-3-1-2-4-10(8)12-9/h1-4,7H,5H2

InChI Key:SPJJYCYYBXUZCP-UHFFFAOYSA-N

Canonical SMILES:C1=CC=C2C(=C1)C=C(S2)CC#N

 

Thermal Properties Value Condition Note
Boiling Point 129-134 °C Press: 2 Torr (1)CAS
Boiling Point 124-126 °C Press: 0.2 Torr (2)CAS
Melting Point 66-67 °C   (2)CAS
Melting Point 60-61 °C   (3)IC

Specification

98%
References
  1. (1) Blicke, F. F.; Journal of the American Chemical Society 1949, V71, P2856-9 CAPLUS
  2. (2) Avakian, Souren; Journal of the American Chemical Society 1948, V70, P3075-6 CAPLUS
  3. (3) Ikeda, Masazumi; Synthetic Communications 1980, V10(6), P437-49 CAPLUS
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