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CS-W001157 4
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2-Methyl-3-(trifluoromethoxy)benzoic acid

  • CAS No. 1261764-39-9

  • Cat. No. CS-0197760
  • Purity≥98%
  • MDL No.None

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

2-Methyl-3-(trifluoromethoxy)benzoic acid|CS-0197760

Structure of 1261764-39-9

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General Information

  • CAS No. 1261764-39-9
  • Cat. No. CS-0197760
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇F₃O₃
  • Molecular Weight 220.15
  • Synonym(s) None
  • SMILES O=C(O)C=1C=CC=C(OC(F)(F)F)C1C

Description

2-Methyl-3-(trifluoromethoxy)benzoic acid features a trifluoromethoxy group that imparts enhanced electron-withdrawal and metabolic stability, while the methyl substituent introduces steric bulk. This combination enhances lipophilicity and resistance to oxidative degradation. The carboxylic acid moiety enables direct derivatization for pharmaceutical intermediates and bioconjugation applications under standard conditions.

Application

2-Methyl-3-(trifluoromethoxy)benzoic acid serves as a versatile building block for medicinal chemistry and agrochemical synthesis, offering a robust trifluoromethoxy group adjacent to a carboxylic acid and methyl substituent. Its stability under standard reaction conditions enables reliable coupling, derivatization, and heterocycle formation in multistep syntheses. The molecule functions effectively in amide bond construction, Suzuki-Miyaura cross-coupling, and as a scaffold for bioactive compound 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   2.59182
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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