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CS-W001157 4
Total: USD 88.00

2-Methyl-3-(trifluoromethyl)benzoic acid

  • CAS No. 62089-35-4

  • Cat. No. CS-W015434
  • Purity≥97%
  • MDL No.MFCD01631588

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

2-Methyl-3-(trifluoromethyl)benzoic acid|CS-W015434

Structure of 62089-35-4

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General Information

  • CAS No. 62089-35-4
  • Cat. No. CS-W015434
  • Purity ≥97%
  • MDL No. MFCD01631588
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇F₃O₂
  • Molecular Weight 204.15
  • Synonym(s) 3-Carboxy-2-methylbenzotrifluoride
  • SMILES O=C(O)C1=CC=CC(C(F)(F)F)=C1C

Description

2-Methyl-3-(trifluoromethyl)benzoic acid features a sterically hindered aromatic core with a strongly electron-deficient trifluoromethyl group, enabling robust coupling reactions. This bench-stable carboxylic acid integrates readily into pharmaceutical scaffolds and serves as a key building block for bioactive molecules requiring enhanced metabolic stability and lipophilicity.

Application

2-Methyl-3-(trifluoromethyl)benzoic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its trifluoromethyl group enhances metabolic stability and lipophilicity, while the carboxylic acid facilitates direct coupling reactions. The molecule exhibits good bench stability and compatibility with standard functional group transformations, making it well-suited for iterative synthetic workflows in API development.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H319
Precautionary Statements : P264-P270-P280-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.71202
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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