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CS-W001157 4
Total: USD 88.00

4-(Trifluoromethoxy)benzoic acid

  • CAS No. 330-12-1

  • Cat. No. CS-W015349
  • Purity≥98%
  • MDL No.MFCD00002541

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

4-(Trifluoromethoxy)benzoic acid|CS-W015349

Structure of 330-12-1

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General Information

  • CAS No. 330-12-1
  • Cat. No. CS-W015349
  • Purity ≥98%
  • MDL No. MFCD00002541
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅F₃O₃
  • Molecular Weight 206.12
  • Synonym(s) α,α,α-Trifluoro-p-anisic Acid
  • SMILES C1=C(OC(F)(F)F)C=CC(=C1)C(O)=O

Description

4-(Trifluoromethoxy)benzoic acid features a para-trifluoromethoxy group that imparts enhanced electron-withdrawing character and metabolic stability. This aryl carboxylic acid integrates readily into pharmaceutical intermediates, bioconjugation scaffolds, and functional materials where halogenated aromatic functionality is required under standard conditions.

Application

4-(Trifluoromethoxy)benzoic acid serves as a versatile building block in medicinal chemistry and materials science, enabling direct incorporation of electron-withdrawing trifluoromethoxy groups into aromatic scaffolds. Its carboxylic acid functionality facilitates amidation, esterification, and coupling reactions under standard conditions. The compound exhibits excellent bench stability and compatibility with diverse functional groups, making it ideal for iterative synthesis workflows and API development.

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   2.2834
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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