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CAS Number: 39965-81-6
2,6-dimethylisonicotinonitrile

Structure

2,6-dimethylisonicotinonitrile
Name: 2,6-dimethylisonicotinonitrile
Synonyms:
General Information
Product Number: 39965816

CAS Registry Number 39965-81-6
Name:
4-?Pyridinecarbonitrile?, 2,?6-?dimethyl-
Isonicotinonitrile, 2,6-dimethyl- (6CI,7CI)
2,6-Dimethyl-4-cyanopyridine
2,6-Dimethyl-4-pyridinecarbonitrile
2,6-Dimethylisonicotinonitrile
4-Cyano-2,6-dimethylpyridine

 

Chemical Formula: C8H8N2
Exact Mass: 132.07
Molecular Weight: 132.16
m/z: 132.07 (100.0%), 133.07 (9.4%)

 

InChI:InChI=1S/C8H8N2/c1-6-3-8(5-9)4-7(2)10-6/h3-4H,1-2H3

InChI Key:TXBLTSMCEXEFMI-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Boiling Point 92-95 °C Press: 25 Torr (1)IC
Melting Point 111-112 °C Solv: dichloromethane (75-09-2); hexane (110-54-3) (4)CAS
Melting Point 81.5-82.0 °C   (5)IC
Melting Point 81-82 °C   (6)CAS
Melting Point 80-83 °C   (7)CAS
Melting Point 80-82 °C   (8)CAS

Specification

98%

References
  1. (1) Yamanaka, Hiroshi; Chemical & Pharmaceutical Bulletin 1977, V25(7), P1821-6 CAPLUS
  2. (4) Achmatowicz, Michal; Journal of Organic Chemistry 2003, V68(20), P7661-7666 CAPLUS
  3. (5) Wang, Cheng-Hsia; Heterocycles 1979, V12(9), P1191-8 CAPLUS
  4. (6) Ochiai, Eiji; Pharmaceutical Bulletin 1954, V2, P247-9 CAPLUS
  5. (7) Okamoto, Toshihiko; Chem. & Pharm. Bull. (Tokyo) 1959, V7, P130-1 CAPLUS
  6. (8) Okamoto, Toshihiko; JP 37009089 B4 1962 CAPLUS
  7. (9) Leung, Christopher W. F.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1979, (7), P1698-702 CAPLUS
  8. (10) Feely, Wayne E.; Journal of the American Chemical Society 1959, V81, P4004-7 CAPLUS
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