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CAS Number: 1006-41-3
2-bromo-4-fluorobenzoic acid

Structure

2-bromo-4-fluorobenzoic acid
Name: 2-bromo-4-fluorobenzoic acid
Synonyms:
General Information
Product Number: 1006413
CAS Registry Number: 1006-41-3
Name:
        Benzoic acid, 2-​bromo-​4-​fluoro-
        2-​Bromo-​4-​fluorobenzoic acid; 4-​Fluoro-​2-​bromobenzoic acid 
 
Chemical Formula: C7H4BrFO2
Exact Mass: 217.94
Molecular Weight: 219.01
m/z: 217.94 (100.0%), 219.94 (97.9%), 218.94 (7.7%), 220.94 (7.5%)
Elemental Analysis: C, 38.39; H, 1.84; Br, 36.48; F, 8.67; O, 14.61
 
InChI: InChI=1S/C7H4BrFO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H,10,11)
InChIKey: RRKPMLZRLKTDQV-UHFFFAOYSA-N
Canonical SMILES : C1=CC(=C(C=C1F)Br)C(=O)O
 
Thermal Properties Value Condition Note
Melting Point 171-172.5 °C Solv: water (7732-18-5); ethanol (64-17-5) (2)CAS
Melting Point 157 °C   (3)CAS

Specification

98%

References
  1. (1) Mei, Tian-Sheng; Angewandte Chemie, International Edition 2008, V47(28), P5215-5219 CAPLUS
  2. (2) Dewar, Michael J. S.; Journal of Organic Chemistry 1963, V28, P1759-62 CAPLUS
  3. (3) Quang, N. N.; Recueil des Travaux Chimiques des Pays-Bas 1964, V83(9/10), P1142-8 CAPLUS
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