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CS-W001157 4
Total: USD 88.00

3,4-Difluoro-2-methoxybenzoic acid

  • CAS No. 875664-52-1

  • Cat. No. CS-0061930
  • Purity≥98%
  • MDL No.MFCD03428593

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

3,4-Difluoro-2-methoxybenzoic acid|CS-0061930

Structure of 875664-52-1

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General Information

  • CAS No. 875664-52-1
  • Cat. No. CS-0061930
  • Purity ≥98%
  • MDL No. MFCD03428593
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆F₂O₃
  • Molecular Weight None
  • Synonym(s) QVR CF DF BO1
  • SMILES COC1=C(C=CC(=C1F)F)C(=O)O

Description

This difluorinated benzoic acid derivative features a methoxy group at the 2-position and fluorines at the 3- and 4-positions, creating a highly electron-deficient aromatic core. The combination enhances metabolic stability and improves membrane permeability, making it valuable for medicinal chemistry applications.

Application

3,4-Difluoro-2-methoxybenzoic acid serves as a versatile building block in medicinal chemistry, enabling efficient access to fluorinated aromatic scaffolds. Its ortho-methoxy and meta-difluoro substituents provide enhanced metabolic stability and modulate electronic properties. The carboxylic acid functionality facilitates direct coupling reactions, amide formation, and ester derivatization under standard conditions, supporting rapid library synthesis and structural optimization.

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   46.53
  • LogP   1.6716
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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