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CS-W001157 4
Total: USD 88.00

4-(Trifluoromethyl)benzamide

  • CAS No. 1891-90-3

  • Cat. No. CS-W015961
  • Molecule weight189.14
  • Purity≥95%
  • MDL No.MFCD00007998

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

4-(Trifluoromethyl)benzamide|CS-W015961

Structure of 1891-90-3

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General Information

  • CAS No. 1891-90-3
  • Cat. No. CS-W015961
  • Purity ≥95%
  • MDL No. MFCD00007998
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆F₃NO
  • Molecular Weight 189.14
  • Synonym(s) 4-(Trifluoromethyl)Benzamide p-(Trifluoromethyl)Benzamide
  • SMILES NC(=O)C1=CC=C(C=C1)C(F)(F)F

Description

4-(Trifluoromethyl)benzamide features a strongly electron-deficient aromatic ring stabilized by the potent trifluoromethyl group, enhancing its utility in medicinal chemistry and materials science. This bench-stable amide integrates readily into diverse synthetic scaffolds, offering high functional group tolerance and robust reactivity under standard conditions.

Application

4-(Trifluoromethyl)benzamide serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles and drug-like scaffolds. Its trifluoromethyl group imparts enhanced metabolic stability and lipophilicity, while the amide functionality offers reliable coupling handles for peptide and macrocycle synthesis. Bench-stable and readily purified, it functions effectively in standard amidation, Suzuki-Miyaura, and Buchwald-Hartwig reactions.

Synthesis

  • Route1
    • null|null
      329-15-7
    • ~99%
    • In-stock
      4-(Trifluoromethyl)benzamide|CS-W015961
      1891-90-3

    References

    • Reuman, Michael; Hu, Zhiyong; Kuo, Gee-Hong; Li, Xun; Russell, Ronald K.; Shen, Lan; Youells, Scott; Zhang, Yongzheng Organic Process Research and Development, 2007 , vol. 11, # 6 p. 1010 - 1014
  • Route2
    • null|null
      201230-82-2
    • In-stock
      1-Bromo-4-(trifluoromethyl)benzene|CS-W014220
      402-43-7
    • ~85%
    • In-stock
      4-(Trifluoromethyl)benzamide|CS-W015961
      1891-90-3

    References

    • Nielsen, Dennis U.; Taaning, Rolf H.; Lindhardt, Anders T.; Gogsig, Thomas M.; Skrydstrup, Troels Organic Letters, 2011 , vol. 13, # 16 p. 4454 - 4457
  • Route3

    References

    • Kang, Dahye; Lee, Jinwoo; Lee, Hee-Yoon Organic Syntheses, 2012 , vol. 89, p. 66 - 72

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.09
  • LogP   1.8043
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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