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CAS Number: 29241-65-4
5-bromo-2-chloronicotinic acid

Structure

5-bromo-2-chloronicotinic acid
Name: 5-bromo-2-chloronicotinic acid
Synonyms:
General Information
Product Number: 29241654

CAS Registry Number: 29241-65-4

Name:

3-​Pyridinecarboxylic acid, 5-​bromo-​2-​chloro-
Nicotinic acid, 5-​bromo-​2-​chloro- (8CI); 2-​Chloro-​5-​bromonicotinic acid; 5-​Bromo-​2-​chloronicotinic acid 

 

Chemical Formula: C6H3BrClNO2
Exact Mass: 234.90
Molecular Weight: 236.45
m/z: 236.90 (100.0%), 234.90 (77.4%), 238.90 (24.2%), 237.90 (6.9%), 235.91 (5.1%), 239.90 (1.7%)

 

InChI: InChI=1S/C6H3BrClNO2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2H,(H,10,11)
InChIKey: UKNYSJCAGUXDOQ-UHFFFAOYSA-N
Canonical SMILES : C1=C(C(=NC=C1Br)Cl)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 174-177 °C   (1)IC
Melting Point 174-177 °C   (2)IC
Melting Point 174-177 °C   (3)IC

Specification

98%

References
  1. (1) Cale, Albert D., Jr.; US 4592866 A 1986 CAPLUS
  2. (2) Cale, Albert D., Jr.; US 4705853 A 1987 CAPLUS
  3. (3) Gero, Thomas W.; Synthetic Communications 1989, V19(3-4), P553-9 CAPLUS
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