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CAS Number: 31722-49-3
1H-imidazole-2-carbonitrile

Structure

 1H-imidazole-2-carbonitrile
Name: 1H-imidazole-2-carbonitrile
Synonyms:
General Information
Product Number: 31722493

CAS Registry Number 31722-49-3
Name:
1H-?Imidazole-?2-?carbonitrile
Imidazole-2-carbonitrile (8CI)
2-Cyanoimidazole
2CNZ

 

Chemical Formula: C4H3N3
Exact Mass: 93.03
Molecular Weight: 93.09
m/z: 93.03 (100.0%), 94.04 (4.4%), 94.03 (1.1%)

 

InChI:InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1-2H,(H,6,7)

InChI Key:QMQZIXCNLUPEIN-UHFFFAOYSA-N

Canonical SMILES:C1=CN=C(N1)C#N

 

Thermal Properties Value Condition Note
Melting Point 176-178 °C Solv: benzene (71-43-2) (1)IC
Melting Point 176-177 °C Solv: benzene (71-43-2) (2)IC

Specification

98%
References
  1. (1) Whitten, Jeffrey P.; Journal of Organic Chemistry 1986, V51(10), P1891-4 CAPLUS
  2. (2) Kimoto, Hiroshi; Journal of Organic Chemistry 1979, V44(16), P2902-6 CAPLUS
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