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CS-W001157 4
Total: USD 88.00

2-Fluoro-5-(trifluoromethoxy)benzoic acid

  • CAS No. 886497-85-4

  • Cat. No. CS-W013074
  • Purity≥97%
  • MDL No.MFCD04115887

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

2-Fluoro-5-(trifluoromethoxy)benzoic acid|CS-W013074

Structure of 886497-85-4

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General Information

  • CAS No. 886497-85-4
  • Cat. No. CS-W013074
  • Purity ≥97%
  • MDL No. MFCD04115887
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄F₄O₃
  • Molecular Weight 224.11
  • Synonym(s) benzoic acid, 2-fluoro-5-(trifluoromethoxy)-
  • SMILES O=C(O)C1=CC(OC(F)(F)F)=CC=C1F

Description

2-Fluoro-5-(trifluoromethoxy)benzoic acid features a strategically positioned trifluoromethoxy group that enhances lipophilicity and metabolic stability. This electron-withdrawing substituent, combined with the fluorine atom at the ortho position, imparts strong acidity and directional reactivity. The compound serves as a valuable building block in medicinal chemistry, particularly for developing bioactive molecules where controlled solubility and target engagement are critical.

Application

2-Fluoro-5-(trifluoromethoxy)benzoic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles and pharmaceutical scaffolds. Its orthogonal functional groups—fluorine, trifluoromethoxy, and carboxylic acid—offer enhanced metabolic stability and modulated lipophilicity. The compound exhibits robust bench stability, facilitates straightforward derivatization via amide or ester formation, and is compatible with standard coupling reactions, making it a reliable component in API development workflows.

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   2.4225
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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