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CS-W001157 4
Total: USD 88.00

3-Methoxy-4-(trifluoromethyl)benzoic acid

  • CAS No. 276861-63-3

  • Cat. No. CS-0063823
  • Purity≥98%
  • MDL No.MFCD13185682

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

3-Methoxy-4-(trifluoromethyl)benzoic acid|CS-0063823

Structure of 276861-63-3

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General Information

  • CAS No. 276861-63-3
  • Cat. No. CS-0063823
  • Purity ≥98%
  • MDL No. MFCD13185682
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇F₃O₃
  • Molecular Weight None
  • Synonym(s) None
  • SMILES O=C(O)C1=CC=C(C(F)(F)F)C(OC)=C1

Description

This trifluoromethyl-substituted benzoic acid features a methoxy group at the ortho position, delivering enhanced solubility and metabolic stability. The electron-withdrawing trifluoromethyl moiety imparts strong acidity and polar character, enabling efficient coupling in amide bond formation. Ideal for pharmaceutical intermediates and bioactive molecule synthesis under standard conditions.

Application

3-Methoxy-4-(trifluoromethyl)benzoic acid serves as a versatile building block in medicinal chemistry and agrochemical synthesis, offering enhanced lipophilicity and metabolic stability through its trifluoromethyl group. The carboxylic acid functionality enables straightforward derivatization into amides, esters, and acyl chlorides, while the methoxy substituent provides predictable electronic modulation. Its bench-stable crystalline form facilitates handling and purification, making it well-suited for iterative synthesis workflows and scale-up applications.

Safety Information

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   2.4122
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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