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CS-W001157 4
Total: USD 88.00

2-Bromo-3,4-difluorobenzoic acid

  • CAS No. 170108-05-1

  • Cat. No. CS-W019552
  • Purity≥98%
  • MDL No.MFCD09835210

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

2-Bromo-3,4-difluorobenzoic acid|CS-W019552

Structure of 170108-05-1

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General Information

  • CAS No. 170108-05-1
  • Cat. No. CS-W019552
  • Purity ≥98%
  • MDL No. MFCD09835210
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃BrF₂O₂
  • Molecular Weight None
  • Synonym(s) QVR CF DF BE
  • SMILES OC(=O)C1=C(Br)C(F)=C(F)C=C1

Description

2-Bromo-3,4-difluorobenzoic acid features a strategically positioned bromine and two fluorine substituents on the aromatic ring, enabling selective functionalization in medicinal chemistry. The carboxylic acid group provides a reactive handle for amide coupling and derivatization under standard conditions. This electron-deficient aryl scaffold integrates readily into bioactive molecules requiring halogen bonding or enhanced metabolic stability.

Application

2-Bromo-3,4-difluorobenzoic acid serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling direct incorporation of halogenated aromatic scaffolds. Its orthogonal reactivity profile facilitates palladium-catalyzed cross-coupling reactions, including Suzuki-Miyaura and Stille couplings, while the carboxylic acid group supports amide formation and derivatization. The molecule exhibits excellent bench stability, ease of purification, and compatibility with diverse functional groups, making it well-suited for modular synthesis workflows in process and discovery chemistry.

Safety Information

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GHS Pictogram :
GHS No : GHS07,GHS09
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335-H411
Precautionary Statements : P260-P264-P270-P271-P273-P280-P301+P310-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P337+P313-P362+P364-P391-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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