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CAS Number: 30766-11-1
5-bromopicolinic acid

Structure

5-bromopicolinic acid
Name: 5-bromopicolinic acid
Synonyms:
General Information
Product Number: 30766111
CAS Registry Number: 30766-11-1
Name:
        2-​Pyridinecarboxylic acid, 5-​bromo-
        Picolinic acid, 5-​bromo- (6CI,​8CI); 5-​Bromo-​2-​picolinic acid; 5-​Bromo-​2-​pyridinecarboxylic acid; 5-​Bromopicolinic acid; 5-​Bromopyridin-​2-​carboxylic 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%)
Elemental Analysis: C, 35.67; H, 2.00; Br, 39.56; N, 6.93; O, 15.84
 
InChI: InChI=1S/C6H4BrNO2/c7-4-1-2-5(6(9)10)8-3-4/h1-3H,(H,9,10)
InChIKey: MNNQIBXLAHVDDL-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=NC=C1Br)C(=O)O
 
Thermal Properties Value Condition Note
Melting Point 176-178 °C   (3)IC
Melting Point 175-176 °C   (4)IC
Melting Point 175 °C   (5)CAS
Melting Point 173-174 °C Solv: acetic acid (64-19-7) (6)CAS

Specification

98%

References
  1. (1) BIORAD: Infrared spectral data from the Bio-Rad/Sadtler IR Data Collection was obtained from Bio-Rad Laboratories, Philadelphia, PA (US). Copyright © Bio-Rad Laboratories. All Rights Reserved.
  2. (2) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  3. (3) Oehlke, J.; Pharmazie 1983, V38(9), P591-6 CAPLUS
  4. (4) Sanders, Georgine M.; Heterocycles 1981, V15(1), P213-23 CAPLUS
  5. (5) Graf, Roderich; Journal fuer Praktische Chemie (Leipzig) 1932, V133, P19-35 CAPLUS
  6. (6) Cottet, Fabrice; European Journal of Organic Chemistry 2003, (8), P1559-1568 CAPLUS
  7. (7) BIORAD: Copyright Bio-Rad Laboratories. All Rights Reserved.
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