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CAS Number: 42839-04-3
pyrimidine-4-carbonitrile

Structure

pyrimidine-4-carbonitrile
Name: pyrimidine-4-carbonitrile
Synonyms:
General Information
Product Number: 42839043

CAS Registry Number 42839-04-3
Name:
4-​Pyrimidinecarbonitri​le
4-Cyanopyrimidine

 

Chemical Formula: C5H3N3
Exact Mass: 105.03
Molecular Weight: 105.10
m/z: 105.03 (100.0%), 106.04 (5.4%), 106.03 (1.1%)

 

InChI:InChI=1S/C5H3N3/c6-3-5-1-2-7-4-8-5/h1-2,4H

InChI Key:ZIEWSZYVEDTXGH-UHFFFAOYSA-N

Canonical SMILES:C1=CN=CN=C1C#N

 

Thermal Properties Value Condition Note
Boiling Point 60 °C Press: 5 Torr (1)IC
Melting Point 31-32 °C   (1)IC
Melting Point 31 °C   (2)CAS

Specification

98%

References
  1. (1) Naumenko, I. I.; Khimiya Geterotsiklicheskikh Soedinenii 1981, (7), P958-62 CAPLUS
  2. (2) Robba, Max; Ann. Chim. (Paris) 1960, V5, P351-79 CAPLUS
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