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CAS Number: 5444-01-9
4-methylnicotinonitrile

Structure

4-methylnicotinonitrile
Name: 4-methylnicotinonitrile
Synonyms:
General Information
Product Number: 5444019

CAS Registry Number 5444-01-9
Name:
3-​Pyridinecarbonitrile​, 4-​methyl-
Nicotinonitrile, 4-methyl- (6CI,7CI,8CI)
3-Cyano-4-methylpyridine
3-Cyano-4-picoline
4-Methyl-3-cyanopyridine
4-Methyl-3-pyridinecarbonitrile

 

Chemical Formula: C7H6N2
Exact Mass: 118.05
Molecular Weight: 118.14
m/z: 118.05 (100.0%), 119.06 (7.6%)

 

InChI:InChI=1S/C7H6N2/c1-6-2-3-9-5-7(6)4-8/h2-3,5H,1H3

InChI Key:XLAPHZHNODDMDD-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Boiling Point 79-82 °C Press: 3 Torr (1)CAS
Boiling Point 75 °C Press: 2 Torr (2)IC
Boiling Point 68-72 °C Press: 2 Torr (3)IC
Boiling Point 64 °C Press: 1-2 Torr (4)CAS
Melting Point 46 °C Solv: heptane (142-82-5) (2)IC
Melting Point 45-46 °C   (1)CAS

Specification

98%

References
  1. (1) Bobbitt, J. M.; Journal of Organic Chemistry 1960, V25, P560-4 CAPLUS
  2. (2) Schmitz, H.; Archiv der Pharmazie (Weinheim, Germany) 1975, V308(6), P433-7 CAPLUS
  3. (3) Failli, Amedeo A.; US 4859671 A 1989 CAPLUS
  4. (4) Webb, James L.; Journal of the American Chemical Society 1944, V66, P1456-9 CAPLUS
  5. (6) Di Rienzo, Barbara; Synthesis 2010, (22), P3835-3838 CAPLUS
  6. (7) Busby, Reginald E.; Journal of Chemical Research, Synopses 1980, (12), P408-9 CAPLUS
  7. (8) Morisawa, Yasuhiro; Journal of Medicinal Chemistry 1978, V21(2), P194-9 CAPLUS
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