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CS-W001157 4
Total: USD 88.00

3-Fluoro-5-(trifluoromethoxy)benzoic acid

  • CAS No. 1242258-49-6

  • Cat. No. CS-0199293
  • Purity≥97%
  • MDL No.None

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

3-Fluoro-5-(trifluoromethoxy)benzoic acid|CS-0199293

Structure of 1242258-49-6

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General Information

  • CAS No. 1242258-49-6
  • Cat. No. CS-0199293
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄F₄O₃
  • Molecular Weight 224.11
  • Synonym(s) None
  • SMILES C1=C(C=C(C=C1F)OC(F)(F)F)C(=O)O

Description

3-Fluoro-5-(trifluoromethoxy)benzoic acid features a strongly electron-withdrawing trifluoromethoxy group paired with a fluorine atom at the meta position, enhancing its utility in medicinal chemistry. This combination imparts high metabolic stability and improved membrane permeability. The carboxylic acid functionality enables direct coupling or derivatization in synthetic workflows.

Application

3-Fluoro-5-(trifluoromethoxy)benzoic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its electron-deficient aromatic core enhances metabolic stability, while the carboxylic acid group facilitates direct coupling reactions or derivatization. The molecule exhibits excellent bench stability and compatibility with standard functional group transformations, making it well-suited for scalable synthetic 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-P304+P340

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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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