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CS-W001157 4
Total: USD 88.00

3-Bromo-4,5-difluorobenzoic acid

  • CAS No. 1244642-73-6

  • Cat. No. CS-W021860
  • Purity≥97%
  • MDL No.MFCD20233291

*For research and further manufacturing use only, not for direct human use.

3-Bromo-4,5-difluorobenzoic acid|CS-W021860

Structure of 1244642-73-6

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General Information

  • CAS No. 1244642-73-6
  • Cat. No. CS-W021860
  • Purity ≥97%
  • MDL No. MFCD20233291
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃BrF₂O₂
  • Molecular Weight 237.00
  • Synonym(s) 3-Bromo-4,5-Difluorobenzoic
  • SMILES OC(=O)C1=CC(Br)=C(F)C(F)=C1

Description

3-Bromo-4,5-difluorobenzoic acid features a strategically positioned bromine and two fluorine substituents on the aromatic ring, enabling selective functionalization in cross-coupling reactions. This electron-deficient scaffold integrates readily into pharmaceutical intermediates and agrochemical building blocks, offering enhanced metabolic stability and tunable solubility under standard conditions.

Application

3-Bromo-4,5-difluorobenzoic acid serves as a versatile building block in medicinal chemistry and materials science, enabling direct incorporation of bromo- and difluoro-substituted aromatic cores. The carboxylic acid group facilitates amidation, esterification, and coupling reactions, while the ortho-bromo functionality supports palladium-catalyzed cross-couplings. Bench-stable and readily purified by recrystallization, it functions as a key intermediate in the synthesis of fluorinated heterocycles and bioactive scaffolds.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.4255
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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