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CAS Number: 17381-51-0
2-(benzo[b]thiophen-5-yl)acetonitrile

Structure

 2-(benzo[b]thiophen-5-yl)acetonitrile
Name: 2-(benzo[b]thiophen-5-yl)acetonitrile
Synonyms:
General Information
Product Number: 17381510

CAS Registry Number 17381-51-0
Name:
Benzo[b]?thiophene-?5-?acetonitrile
(Benzo[b]thiophen-5-yl)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/c11-5-3-8-1-2-10-9(7-8)4-6-12-10/h1-2,4,6-7H,3H2

InChI Key:KCINAEFQFUWUIB-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=CS2)C=C1CC#N

 

Thermal Properties Value Condition Note
Boiling Point 110-112 °C Press: 3 Torr (1)CAS
Melting Point 58-59 °C   (1)CAS

Specification

98%
References
  1. (1) Matsuki, Yasuo; Nippon Kagaku Zasshi 1967, V88(4), P445-7 CAPLUS
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