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CAS Number: 183065-68-1
4-bromo-2,6-difluorobenzoic acid

Structure

4-bromo-2,6-difluorobenzoic acid
Name: 4-bromo-2,6-difluorobenzoic acid
Synonyms:
General Information
Product Number: 183065681

CAS Registry Number 183065-68-1
Name:
Benzoic acid, 4-​bromo-​2,​6-​difluoro-
2,6-Difluoro-4-bromobenzoic acid
4-Bromo-2,6-difluorobenzoic acid

 

Chemical Formula: C7H3BrF2O2
Exact Mass: 235.93
Molecular Weight: 237.00
m/z: 235.93 (100.0%), 237.93 (97.7%), 236.93 (7.7%), 238.93 (7.5%)

 

InChI:InChI=1S/C7H3BrF2O2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H,11,12)

InChI Key:IRHPJGPQWZEZRX-UHFFFAOYSA-N

Canonical SMILES:C1=C(C=C(C(=C1F)C(=O)O)F)Br

 

Thermal Properties Value Condition Note
Melting Point 196-198 °C Solv: hexane (110-54-3) (1)CAS
Melting Point 195-197 °C Solv: hexane (110-54-3); benzene (71-43-2) (2)CAS

Specification

98%

References
  1. (1) Schlosser, Manfred; European Journal of Organic Chemistry 2003, (23), P4618-4624 CAPLUS
  2. (2) Hattori, Yoshihide; Bioorganic & Medicinal Chemistry 2006, V14(10), P3258-3262 CAPLUS
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