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CS-W001157 4
Total: USD 88.00

2-(4-Morpholinyl)-5-(trifluoromethyl)benzoic acid

  • CAS No. 865471-20-1

  • Cat. No. CS-0647552
  • Molecule weight275.22
  • Purity≥98%
  • MDL No.None

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

2-(4-Morpholinyl)-5-(trifluoromethyl)benzoic acid|CS-0647552

Structure of 865471-20-1

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General Information

  • CAS No. 865471-20-1
  • Cat. No. CS-0647552
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₂F₃NO₃
  • Molecular Weight 275.22
  • Synonym(s) None
  • SMILES O=C(O)C1=CC(C(F)(F)F)=CC=C1N2CCOCC2

Description

This morpholinyl-substituted benzoic acid features a trifluoromethyl group at the meta position, enhancing electron-withdrawing character and metabolic stability. The pendant morpholine ring imparts solubility and hydrogen-bonding capacity, enabling integration into bioactive scaffolds for medicinal chemistry applications.

Application

2-(4-Morpholinyl)-5-(trifluoromethyl)benzoic acid serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles and pharmaceutical scaffolds. Its trifluoromethyl group enhances metabolic stability and lipophilicity, while the morpholinyl moiety offers hydrogen-bonding capacity and solubility modulation. The carboxylic acid functionality facilitates direct coupling reactions, amide formation, or derivatization under standard conditions, supporting efficient route optimization in drug discovery campaigns.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   49.77
  • LogP   2.2402
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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