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CAS Number: 66572-56-3
2-bromoisonicotinic acid

Structure

 2-bromoisonicotinic acid
Name: 2-bromoisonicotinic acid
Synonyms:
General Information
Product Number: 66572563

CAS Registry Number 66572-56-3
Name:
4-?Pyridinecarboxylic acid, 2-?bromo-
Isonicotinic acid, 2-bromo- (7CI)
2-Bromo-4-pyridinecarboxylic acid
2-Bromoisonicotinic acid
NSC 9462

 

Chemical Formula: C6H4BrNO2
Exact Mass: 200.94
Molecular Weight: 202.01
m/z: 200.94 (100.0%), 202.94 (97.3%), 203.94 (6.7%), 201.95 (6.6%)

 

InChI:InChI=1S/C6H4BrNO2/c7-5-3-4(6(9)10)1-2-8-5/h1-3H,(H,9,10)

InChI Key:YBTKGKVQEXAYEM-UHFFFAOYSA-N

Canonical SMILES:C1=CN=C(C=C1C(=O)O)Br

 

Thermal Properties Value Condition Note
Melting Point 235 °C   (4)IC
Melting Point 229 °C   (5)CAS
Melting Point 213.9-214.4 °C Solv: ethanol (64-17-5) (6)IC

Specification

98%
References
  1. (4) Joos, Pieter E.; Nucleosides & Nucleotides 1991, V10(4), P883-94 CAPLUS
  2. (5) Suzuki, Yasuyuki; Yakugaku Zasshi 1961, V81, P1204-6 CAPLUS
  3. (6) Hirakawa, Nobuhiko; EP 282077 A2 1988 CAPLUS
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