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CAS Number: 3222-48-8
6-methylnicotinonitrile

Structure

6-methylnicotinonitrile
Name: 6-methylnicotinonitrile
Synonyms:
General Information
Product Number: 3222488

CAS Registry Number 3222-48-8
Name:
3-​Pyridinecarbonitrile​, 6-​methyl-
Nicotinonitrile, 6-methyl- (7CI,8CI)
2-Methyl-5-cyanopyridine
2-Methyl-5-pyridinecarbonitrile
3-Cyano-6-methylpyridine
5-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/c1-6-2-3-7(4-8)5-9-6/h2-3,5H,1H3

InChI Key:PBLOYQAQGYUPCM-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Boiling Point 216-217 °C   (1)CAS
Boiling Point 98.0-98.5 °C Press: 11 Torr (2)CAS
Melting Point 90 °C   (3)CAS
Melting Point 84.5 °C   (4)IC
Melting Point 84-86 °C Solv: heptane (142-82-5) (5)IC
Melting Point 84-85 °C   (1)CAS
Melting Point 84-85 °C   (6)CAS

Specification

98%

References
  1. (1) Rath, C.; Justus Liebigs Annalen der Chemie 1931, V487, P127-34 CAPLUS
  2. (2) Plattner, Pl. A.; Helvetica Chimica Acta 1954, V37, P1379-92 CAPLUS
  3. (3) Nakashima, Tatsumi; Yakugaku Zasshi 1955, V75, P1012-13 CAPLUS
  4. (4) Suvorov, B. V.; Izvestiya Akademii Nauk Kazakhskoi SSR, Seriya Khimicheskaya 1977, V27(5), P89-90 CAPLUS
  5. (5) Schmitz, H.; Archiv der Pharmazie (Weinheim, Germany) 1975, V308(5), P359-64 CAPLUS
  6. (6) Reider, Malcolm J.; Journal of Organic Chemistry 1942, V7, P286-96 CAPLUS
  7. (7) Reppel, L.; Archiv der Pharmazie und Berichte der Deutschen Pharmazeutischen Gesellschaft 1965, V298(6), P342-50 CAPLUS
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