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CS-W001157 4
Total: USD 88.00

2-Chloro-4,6-difluorobenzoic acid

  • CAS No. 1242339-67-8

  • Cat. No. CS-0097779
  • Purity≥98%
  • MDL No.MFCD16250104

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

2-Chloro-4,6-difluorobenzoic acid|CS-0097779

Structure of 1242339-67-8

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General Information

  • CAS No. 1242339-67-8
  • Cat. No. CS-0097779
  • Purity ≥98%
  • MDL No. MFCD16250104
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃ClF₂O₂
  • Molecular Weight 192.55
  • Synonym(s) QVR BG DF FF
  • SMILES O=C(O)C1=C(F)C=C(F)C=C1Cl

Description

2-Chloro-4,6-difluorobenzoic acid features a trifluorinated aromatic core with orthogonal halogen substituents enabling selective cross-coupling. The carboxylic acid group provides a robust handle for amide bond formation and derivatization under standard conditions. This configuration delivers enhanced metabolic stability and electron-withdrawing character, ideal for pharmaceutical intermediates and agrochemical scaffold development.

Application

2-Chloro-4,6-difluorobenzoic acid serves as a versatile building block in medicinal chemistry and agrochemical synthesis. Its electron-deficient aromatic core enables efficient coupling reactions, particularly in Suzuki-Miyaura and Buchwald-Hartwig protocols. The carboxylic acid group facilitates direct derivatization to amides, esters, or acyl chlorides, while the ortho-chloro and meta-fluoro substituents provide orthogonal reactivity for selective functionalization. Bench-stable and readily purified by recrystallization, it functions reliably in multi-step syntheses of bioactive heterocycles and API intermediates.

Safety Information

Download SDS
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

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.3164
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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