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CAS Number: 58481-11-1
methyl 2-chloroisonicotinate

Structure

methyl 2-chloroisonicotinate
Name: methyl 2-chloroisonicotinate
Synonyms:
General Information
Product Number: 58481111

CAS Registry Number 58481-11-1
Name:
4-​Pyridinecarboxylic acid, 2-​chloro-​, methyl ester
2-Chloroisonicotinic acid methyl ester
2-Chloropyridine-4-carboxylic acid methyl ester
Methyl 2-chloro-4-pyridinecarboxylate
Methyl 2-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%)

 

InChI:InChI=1S/C7H6ClNO2/c1-11-7(10)5-2-3-9-6(8)4-5/h2-4H,1H3

InChI Key:KKOUHTMLFUAAGG-UHFFFAOYSA-N

Canonical SMILES:COC(=O)C1=CC(=NC=C1)Cl

 

Thermal Properties Value Condition Note
Boiling Point 84-88 °C Press: 15 Torr (1)CAS
Boiling Point 52-56 °C Press: 0.05 Torr (2)IC
Melting Point 33-34 °C   (3)CAS
Melting Point See full text   (1)CAS

Specification

98%

References
  1. (1) Baumler, J.; Helvetica Chimica Acta 1951, V34, P496-500 CAPLUS
  2. (2) Adger, Brian M.; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1988, (10), P2785-9 CAPLUS
  3. (3) Fox, H. Herbert; Journal of Organic Chemistry 1958, V23, P64-6 CAPLUS
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