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CS-W001157 4
Total: USD 88.00

2-Amino-4-(trifluoromethyl)benzoic acid

  • CAS No. 402-13-1

  • Cat. No. CS-W007507
  • Purity≥97%
  • MDL No.MFCD00519334

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

2-Amino-4-(trifluoromethyl)benzoic acid|CS-W007507

Structure of 402-13-1

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General Information

  • CAS No. 402-13-1
  • Cat. No. CS-W007507
  • Purity ≥97%
  • MDL No. MFCD00519334
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆F₃NO₂
  • Molecular Weight 205.13
  • Synonym(s) 4-(Trifluoromethyl)anthranilic Acid
  • SMILES O=C(O)C1=CC=C(C(F)(F)F)C=C1N

Description

2-Amino-4-(trifluoromethyl)benzoic acid features a strategically positioned trifluoromethyl group enhancing electron-withdrawal and metabolic stability, while the amino substituent enables direct conjugation or derivatization. This scaffold integrates readily into bioactive molecule design, offering robust functionality under standard synthetic conditions.

Synthesis

  • Route1

    References

    • NOVARTIS AG; NOVARTIS PHARMA GMBH Patent: WO2006/108591 A1, 2006 ; Location in patent: Page/Page column 10; 66 ; WO 2006/108591 A1
  • Route2
    • 2-Amino-4-(trifluoromethyl)benzamide|CS-0150081
      713-41-7
    • ~%
    • In-stock
      2-Amino-4-(trifluoromethyl)benzoic acid|CS-W007507
      402-13-1

    References

    • Sandoz, Inc. Patent: US4307113 A1, 1981 ;
  • Route3

    References

    • Suez, Gal; Bloch, Victoria; Nisnevich, Gennady; Gandelman, Mark European Journal of Organic Chemistry, 2012 , # 11 p. 2118 - 2122

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+P364-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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