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CS-W001157 4
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2-(Difluoromethoxy)benzoic acid

  • CAS No. 97914-59-5

  • Cat. No. CS-0039279
  • Purity≥98%
  • MDL No.MFCD00236223

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

2-(Difluoromethoxy)benzoic acid|CS-0039279

Structure of 97914-59-5

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General Information

  • CAS No. 97914-59-5
  • Cat. No. CS-0039279
  • Purity ≥98%
  • MDL No. MFCD00236223
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆F₂O₃
  • Molecular Weight 188.13
  • Synonym(s) 2-(Difluorometoxy)benzoic acid
  • SMILES O=C(O)C1=CC=CC=C1OC(F)F

Description

2-(Difluoromethoxy)benzoic acid features a para-difluoromethoxy substituent that enhances metabolic stability and modulates lipophilicity. This electron-withdrawing group improves membrane permeability while maintaining structural rigidity, making it valuable in medicinal chemistry for optimizing pharmacokinetic profiles. The carboxylic acid moiety enables direct conjugation or derivatization under standard conditions.

Application

2-(Difluoromethoxy)benzoic acid serves as a valuable building block in medicinal chemistry, enabling the introduction of a polar, metabolically stable difluoromethoxy group at the ortho position of a benzoic acid scaffold. Its carboxylic acid functionality facilitates direct coupling reactions, esterifications, and amide formations, while the difluoromethoxy moiety offers enhanced lipophilicity and bioavailability. The compound exhibits good bench stability and is compatible with standard purification methods, making it well-suited for use in API development and high-throughput screening campaigns.

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   46.53
  • LogP   1.9862
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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