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CS-W001157 4
Total: USD 88.00

4-(Trifluoromethyl)benzoic acid

  • CAS No. 455-24-3

  • Cat. No. CS-W015914
  • Purity≥98%
  • MDL No.MFCD00002562

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

4-(Trifluoromethyl)benzoic acid|CS-W015914

Structure of 455-24-3

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General Information

  • CAS No. 455-24-3
  • Cat. No. CS-W015914
  • Purity ≥98%
  • MDL No. MFCD00002562
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅F₃O₂
  • Molecular Weight 190.12
  • Synonym(s) None
  • SMILES C1=C(C=CC(=C1)C(O)=O)C(F)(F)F

Description

4-(Trifluoromethyl)benzoic acid was used in the synthesis of salicylanilide 4-(trifluoromethyl)benzoates via N,N-dicyclohexylcarbodiimide coupling in dry N,N-dimethylformamide. It was used as internal standard during the ultra trace analysis of fluorinated aromatic carboxylic acids by GC/MS method.

Application

4-(Trifluoromethyl)benzoic acid serves as a versatile building block in medicinal chemistry and materials science, enabling efficient incorporation of a strongly electron-withdrawing trifluoromethyl group into aromatic scaffolds. Its carboxylic acid functionality facilitates direct amidation, esterification, and coupling reactions, while the para-trifluoromethyl substituent enhances metabolic stability and lipophilicity. The compound exhibits excellent bench stability and is readily purified by recrystallization, making it well-suited for high-throughput synthesis and scale-up applications.

Safety Information

Download SDS
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+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.4036
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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