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CAS Number: 77768-02-6
4-methylpyrimidine-2-carbonitrile

Structure

4-methylpyrimidine-2-carbonitrile
Name: 4-methylpyrimidine-2-carbonitrile
Synonyms:
General Information
Product Number: 77768026

CAS Registry Number 77768-02-6
Name:
2-​Pyrimidinecarbonitri​le, 4-​methyl-
2-Cyano-4-methylpyrimidine
4-Methylpyrimidine-2-carbonitrile

 

Chemical Formula: C6H5N3
Exact Mass: 119.05
Molecular Weight: 119.12
m/z: 119.05 (100.0%), 120.05 (7.7%)

 

InChI:InChI=1S/C6H5N3/c1-5-2-3-8-6(4-7)9-5/h2-3H,1H3

InChI Key:XXQWGLMZNGIYQY-UHFFFAOYSA-N

Canonical SMILES:CC1=NC(=NC=C1)C#N

 

Thermal Properties Value Condition Note
Melting Point 52-57 °C Solv: ligroine (8032-32-4) (1)CAS
Melting Point 49-51 °C   (2)CAS
Melting Point 48 °C   (3)IC

Specification

98%

References
  1. (1) Ochiai, Eiji; Pharmaceutical Bulletin 1955, V3, P173-4 CAPLUS
  2. (2) Ochiai, Eiji; Pharmaceutical Bulletin 1955, V3, P175-8 CAPLUS
  3. (3) Hermann, Klaus; Liebigs Annalen der Chemie 1981, (2), P333-41 CAPLUS
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