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CAS Number: 98273-79-1
methyl 3-chloroisonicotinate

Structure

methyl 3-chloroisonicotinate
Name: methyl 3-chloroisonicotinate
Synonyms:
General Information
Product Number: 98273791
CAS Registry Number: 98273-79-1
Name:
        4-​Pyridinecarboxylic acid, 3-​chloro-​, methyl ester
        Isonicotinic acid, 3-​chloro-​, methyl ester (6CI); Methyl 3-​chloroisonicotinate 
 
Chemical Formula: C7H6ClNO2
Exact Mass: 171.01
Molecular Weight: 171.58
m/z: 171.01 (100.0%), 173.01 (32.4%), 172.01 (8.1%), 174.01 (2.5%)
Elemental Analysis: C, 49.00; H, 3.52; Cl, 20.66; N, 8.16; O, 18.65
 
InChI: InChI=1S/C7H6ClNO2/c1-11-7(10)5-2-3-9-4-6(5)8/h2-4H,1H3
InChIKey: UWSWHAPVUHNFKD-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=C(C=NC=C1)Cl
 
Thermal Properties Value Condition Note
Boiling Point 70-75 °C Press: 0.1 Torr (1)CAS

Specification

98%

References
  1. (1) Fox, H. Herbert; Journal of Organic Chemistry 1958, V23, P64-6 CAPLUS
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