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CS-W001157 4
Total: USD 88.00

2,3,4-trifluoro-5-methoxybenzoic acid

  • CAS No. 38233-47-5

  • Cat. No. CS-0035498
  • Purity≥98%
  • MDL No.MFCD11973916

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

2,3,4-trifluoro-5-methoxybenzoic acid|CS-0035498

Structure of 38233-47-5

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General Information

  • CAS No. 38233-47-5
  • Cat. No. CS-0035498
  • Purity ≥98%
  • MDL No. MFCD11973916
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅F₃O₃
  • Molecular Weight 206.12
  • Synonym(s) 2,3,4,5,6-PENTAFLUOROBENZYL CHLORIDE
  • SMILES COC1=C(C(=C(C(=C1)C(=O)O)F)F)F

Description

This trifluoromethoxy-substituted benzoic acid features a highly electron-deficient aromatic core, enabling efficient coupling reactions in medicinal chemistry. The methoxy group enhances solubility and modulates reactivity, while the fluorine atoms provide metabolic stability and influence electronic properties.

Application

2,3,4-Trifluoro-5-methoxybenzoic acid serves as a versatile building block in medicinal chemistry, offering a highly fluorinated aromatic core with orthogonal functionality. The carboxylic acid group enables direct amidation, esterification, or coupling reactions, while the methoxy substituent provides steric and electronic modulation. Its bench-stable crystalline form facilitates handling and purification, making it suitable for iterative synthesis of bioactive molecules 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

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   1.8107
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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