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CS-W001157 4
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4-Fluoro-3-(trifluoromethoxy)benzoic acid

  • CAS No. 886496-49-7

  • Cat. No. CS-0084844
  • Molecule weight224.11
  • Purity≥96%
  • MDL No.MFCD06660161

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

4-Fluoro-3-(trifluoromethoxy)benzoic acid|CS-0084844

Structure of 886496-49-7

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General Information

  • CAS No. 886496-49-7
  • Cat. No. CS-0084844
  • Purity ≥96%
  • MDL No. MFCD06660161
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄F₄O₃
  • Molecular Weight 224.11
  • Synonym(s) 5-Carboxy-alpha,alpha,alpha,2-tetrafluoroanisole
  • SMILES O=C(O)C1=CC=C(F)C(OC(F)(F)F)=C1

Description

4-Fluoro-3-(trifluoromethoxy)benzoic acid features a strategically positioned trifluoromethoxy group enhancing electron-withdrawal and metabolic stability. This aromatic carboxylic acid integrates readily into bioactive scaffolds, offering improved solubility and membrane permeability in medicinal chemistry applications.

Application

4-Fluoro-3-(trifluoromethoxy)benzoic acid serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles and pharmaceutical scaffolds. Its orthogonal functional groups—fluorine and trifluoromethoxy—offer enhanced metabolic stability and modulated lipophilicity, while the carboxylic acid facilitates direct derivatization or coupling reactions. The compound exhibits excellent bench stability and is compatible with standard synthetic workflows, including amide formation, Suzuki-Miyaura coupling, and electrophilic aromatic substitution.

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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   2.4225
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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