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CS-W001157 4
Total: USD 88.00

3-Amino-5-(trifluoromethyl)benzoic acid

  • CAS No. 328-68-7

  • Cat. No. CS-W005857
  • Purity≥97%
  • MDL No.MFCD00236641

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

3-Amino-5-(trifluoromethyl)benzoic acid|CS-W005857

Structure of 328-68-7

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General Information

  • CAS No. 328-68-7
  • Cat. No. CS-W005857
  • Purity ≥97%
  • MDL No. MFCD00236641
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆F₃NO₂
  • Molecular Weight 205.13
  • Synonym(s) 3-amino-5-trifluoromethylbenzoic acid
  • SMILES O=C(O)C1=CC(C(F)(F)F)=CC(N)=C1

Description

CHES is zwitterionic buffer useful in pH range 8.6 to 10.0.CHES is widely utilized as a buffer which is used for investigations on pH-dependent processes in enzymology. It has been shown to have an unusually high affinity for the iodoacetate binding site of liver alcohol dehydrogenase.

Application

3-Amino-5-(trifluoromethyl)benzoic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of bioactive heterocycles and pharmaceutical intermediates. Its dual functionality—amine and carboxylic acid—facilitates efficient coupling reactions, amide formation, and cyclization processes. The electron-withdrawing trifluoromethyl group enhances metabolic stability and modulates lipophilicity, while the compound exhibits good bench stability and ease of purification, making it suitable for scalable synthetic workflows.

Synthesis

  • Route1

    References

    • Shirai, Junya; Morimoto, Shinji; Sugiyama, Hideyuki; Sakauchi, Nobuki; Yoshikawa, Takeshi Patent: US2008/275085 A1, 2008 ; Location in patent: Page/Page column 45 ; US 20080275085 A1

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-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   63.32
  • LogP   1.9858
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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