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CS-W001157 4
Total: USD 88.00

4-Bromo-3,5-difluorobenzoic acid

  • CAS No. 651027-00-8

  • Cat. No. CS-0028265
  • Purity≥96%
  • MDL No.MFCD18917156

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

4-Bromo-3,5-difluorobenzoic acid|CS-0028265

Structure of 651027-00-8

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General Information

  • CAS No. 651027-00-8
  • Cat. No. CS-0028265
  • Purity ≥96%
  • MDL No. MFCD18917156
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃BrF₂O₂
  • Molecular Weight None
  • Synonym(s) Benzoic acid,4-bromo-3,5-difluoro
  • SMILES OC(C1=CC(F)=C(Br)C(F)=C1)=O

Description

4-Bromo-3,5-difluorobenzoic acid features a trifunctional aromatic core with complementary halogen and carboxylic acid handles. The electron-deficient ring enables efficient cross-coupling, while the ortho-fluorine substituents enhance metabolic stability. This robust scaffold integrates readily into bioactive molecules and serves as a key intermediate in medicinal chemistry and materials synthesis under standard conditions.

Application

4-Bromo-3,5-difluorobenzoic acid serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient incorporation of halogenated aromatic scaffolds. Its orthogonal reactivity profile—combining bromine for cross-coupling and fluorines for modulating electronic properties—facilitates downstream functionalization via Pd-catalyzed reactions. The carboxylic acid group supports direct derivatization or amide formation, while the molecule exhibits excellent bench stability and ease of purification, making it well-suited for scalable process development.

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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