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CAS Number: 98873-55-3
2-(1H-imidazol-1-yl)acetonitrile

Structure

2-(1H-imidazol-1-yl)acetonitrile
Name: 2-(1H-imidazol-1-yl)acetonitrile
Synonyms:
General Information
Product Number: 98873553

CAS Registry Number 98873-55-3
Name:
1H-​Imidazole-​1-​acetonitrile
1-(Cyanomethyl)imidazole
1-Imidazolylacetonitrile

 

Chemical Formula: C5H5N3
Exact Mass: 107.05
Molecular Weight: 107.11
m/z: 107.05 (100.0%), 108.05 (6.6%)

 

InChI:InChI=1S/C5H5N3/c6-1-3-8-4-2-7-5-8/h2,4-5H,3H2

InChI Key:ZPGCVVBPGQJSPX-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Boiling Point 116-120 °C Press: 0.35 Torr (1)IC
Melting Point 138 °C   (4)CAS

Specification

98%

References
  1. (1) Schellhammer, Carl Wolfgang; DE 3620825 A1 1987 CAPLUS
  2. (4) Bauer, Hugo; Biochemical Preparations 1957, V5, P97-100 CAPLUS
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