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CAS Number: 59786-31-1
methyl 3-bromoisonicotinate

Structure

methyl 3-bromoisonicotinate
Name: methyl 3-bromoisonicotinate
Synonyms:
General Information
Product Number: 59786311

CAS Registry Number 59786-31-1
Name:
4-​Pyridinecarboxylic acid, 3-​bromo-​, methyl ester
3-Bromoisonicotinic acid methyl ester
3-Bromopyridine-4-carboxylic acid methyl ester
Methyl 3-bromoisonicotinate
Methyl 3-bromopyridine-4-carboxylate

 

Chemical Formula: C7H6BrNO2
Exact Mass: 214.96
Molecular Weight: 216.03
m/z: 214.96 (100.0%), 216.96 (98.0%), 215.96 (8.1%), 217.96 (7.5%)

 

InChI:InChI=1S/C7H6BrNO2/c1-11-7(10)5-2-3-9-4-6(5)8/h2-4H,1H3

InChI Key:FASOJOLGUAUEPU-UHFFFAOYSA-N

Canonical SMILES:COC(=O)C1=C(C=NC=C1)Br

 

Thermal Properties Value Condition Note
Boiling Point 134 °C Press: 15 Torr (1)IC

Specification

98%

References
  1. (1) Dejardin, Jean V.; Bulletin de la Societe Chimique de France 1976, (3-4, Pt. 2), P530-2 CAPLUS
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