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CAS Number: 13959-02-9
3-bromoisonicotinic acid

Structure

3-bromoisonicotinic acid
Name: 3-bromoisonicotinic acid
Synonyms:
General Information
Product Number: 13959029

CAS Registry Number 13959-02-9
Name:
4-​Pyridinecarboxylic acid, 3-​bromo-
Isonicotinic acid, 3-bromo- (7CI,8CI)
3-Bromo-4-pyridinecarboxylic acid
3-Bromoisonicotinic acid

 

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/c7-5-3-8-2-1-4(5)6(9)10/h1-3H,(H,9,10)

InChI Key:AVXWWBFBRTXBRM-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 237-238 °C   (3)CAS
Melting Point 237-238 °C   (2)IC
Melting Point 220 °C Solv: water (7732-18-5) (4)CAS

Specification

98%

References
  1. (2) Dejardin, Jean V.; Bulletin de la Societe Chimique de France 1976, (3-4, Pt. 2), P530-2 CAPLUS
  2. (3) Palat, Karel; Collection of Czechoslovak Chemical Communications 1967, V32(3), P1191-6 CAPLUS
  3. (4) Talik, Tadeusz; Roczniki Chemii 1962, V36, P1049-56 CAPLUS
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