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CAS Number: 22821-75-6
3-(methylsulfonyl)benzonitrile

Structure

3-(methylsulfonyl)benzonitrile
Name: 3-(methylsulfonyl)benzonitrile
Synonyms:
General Information
Product Number: 22821756

CAS Registry Number 22821-75-6
Name:
Benzonitrile, 3-​(methylsulfonyl)​-
Benzonitrile, m-(methylsulfonyl)- (6CI,8CI)
3-(Methylsulfonyl)benzonitrile

 

Chemical Formula: C8H7NO2S
Exact Mass: 181.02
Molecular Weight: 181.21
m/z: 181.02 (100.0%), 182.02 (9.9%), 183.02 (5.0%)

 

InChI:InChI=1S/C8H7NO2S/c1-12(10,11)8-4-2-3-7(5-8)6-9/h2-5H,1H3

InChI Key:VWPJXEYDYJQMBC-UHFFFAOYSA-N

Canonical SMILES:CS(=O)(=O)C1=CC=CC(=C1)C#N

 

Thermal Properties Value Condition Note
Boiling Point 210 °C Press: 4 Torr (1)CAS
Melting Point 103-104 °C   (1)CAS
Melting Point 100.9-101.6 °C   (3)CAS

Specification

98%

References
  1. (1) Fuller, A. T.; Journal of the Chemical Society 1945, P633-40 CAPLUS
  2. (3) Hanson, Peter; Organic & Biomolecular Chemistry 2008, V6(4), P745-761 CAPLUS
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