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CAS Number: 4138-20-9
6-(tert-butyl)-2-chloronicotinonitrile

Structure

 6-(tert-butyl)-2-chloronicotinonitrile
Name: 6-(tert-butyl)-2-chloronicotinonitrile
Synonyms:
General Information
Product Number: 4138209

CAS Registry Number 4138-20-9
Name:
3-?Pyridinecarbonitrile?, 2-?chloro-?6-?(1,?1-?dimethylethyl)?-
Nicotinonitrile, 6-tert-butyl-2-chloro- (7CI,8CI)
6-tert-Butyl-2-chloronicotinonitrile

 

Chemical Formula: C10H11ClN2
Exact Mass: 194.06
Molecular Weight: 194.66
m/z: 194.06 (100.0%), 196.06 (32.0%), 195.06 (11.6%), 197.06 (3.7%)

 

InChI:InChI=1S/C10H11ClN2/c1-10(2,3)8-5-4-7(6-12)9(11)13-8/h4-5H,1-3H3

InChI Key:ZGAPRXSQJGVERK-UHFFFAOYSA-N

Canonical SMILES:CC(C)(C)C1=NC(=C(C=C1)C#N)Cl

 

Thermal Properties Value Condition Note
Boiling Point 100 °C Press: 0.5 Torr (1)CAS
Melting Point 57-59 °C   (1)CAS

Specification

98%
References
  1. (1) Barbieri, W.; Tetrahedron 1965, V21(9), P2453-67 CAPLUS
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