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CAS Number: 65169-38-2
2-chloro-4-methylnicotinonitrile

Structure

 2-chloro-4-methylnicotinonitrile
Name: 2-chloro-4-methylnicotinonitrile
Synonyms:
General Information
Product Number: 65169382

CAS Registry Number 65169-38-2
Name:
3-?Pyridinecarbonitrile?, 2-?chloro-?4-?methyl-
2-Chloro-4-methyl-3-pyridinecarbonitrile
2-Chloro-3-cyano-4-methylpyridine
2-Chloro-4-methylnicotinotrile
4-Methyl-2-chloronicotinonitrile

 

Chemical Formula: C7H5ClN2
Exact Mass: 152.01
Molecular Weight: 152.58
m/z: 152.01 (100.0%), 154.01 (32.0%), 153.02 (7.6%), 155.01 (2.7%)

 

InChI:InChI=1S/C7H5ClN2/c1-5-2-3-10-7(8)6(5)4-9/h2-3H,1H3

InChI Key:BXUFVXSRHLSIMN-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 108-109 °C Solv: water (7732-18-5); ethanol (64-17-5) (1)IC
Melting Point 105-108 °C Solv: ethyl acetate (141-78-6) (2)IC

Specification

98%
References
  1. (1) Weglinski, Zbigniew; Roczniki Chemii 1977, V51(12), P2401-9 CAPLUS
  2. (2) Morisawa, Yasuhiro; Journal of Medicinal Chemistry 1978, V21(2), P194-9 CAPLUS
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