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CAS Number: 1721-23-9
2-methylnicotinonitrile

Structure

2-methylnicotinonitrile
Name: 2-methylnicotinonitrile
Synonyms:
General Information
Product Number: 1721239

CAS Registry Number 1721-23-9
Name:
3-​Pyridinecarbonitrile​, 2-​methyl-
Nicotinonitrile, 2-methyl- (6CI,7CI,8CI)
2-Methyl-3-cyanopyridine
2-Methylnicotinonitrile
2-Methylpyridine-3-carbonitrile
3-Cyano-2-methylpyridine

 

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/c1-6-7(5-8)3-2-4-9-6/h2-4H,1H3

InChI Key:UBKKNWJGYLSDSJ-UHFFFAOYSA-N

Canonical SMILES:CC1=C(C=CC=N1)C#N

 

Thermal Properties Value Condition Note
Boiling Point 100-101 °C Press: 18 Torr (1)CAS
Boiling Point 95-105 °C Press: 13 Torr (2)CAS
Boiling Point 95-105 °C Press: 13 Torr (3)CAS
Melting Point 59 °C Solv: ligroine (8032-32-4) (4)IC
Melting Point 58 °C   (5)CAS
Melting Point 56-58 °C   (6)CAS

Specification

98%

References
  1. (1) Pasedach, Heinrich; DE 1207930 1965 CAPLUS
  2. (2) Sato, Yoshinobu; JP 33008523 B4 1958 CAPLUS
  3. (3) Sato, Yoshinobu; Takamine Kenkyusho Nenpo 1958, V10, P27-9 CAPLUS
  4. (4) Schmitz, H.; Archiv der Pharmazie (Weinheim, Germany) 1975, V308(12), P969-76 CAPLUS
  5. (5) Baumgarten, Paul; Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen 1939, V72B, P563-6 CAPLUS
  6. (6) Khanna, Ish K.; Journal of Medicinal Chemistry 2000, V43(16), P3168-3185 CAPLUS
  7. (7) Jutz, Christian; Synthesis 1977, (5), P326-8 CAPLUS
  8. (8) Bohlmann, Ferdinand; DE 1190464 1965 CAPLUS
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