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CS-W001157 4
Total: USD 88.00

4-(Trifluoromethyl)aniline

  • CAS No. 455-14-1

  • Cat. No. CS-W019629
  • Purity≥98%
  • MDL No.MFCD00064396

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

4-(Trifluoromethyl)aniline|CS-W019629

Structure of 455-14-1

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General Information

  • CAS No. 455-14-1
  • Cat. No. CS-W019629
  • Purity ≥98%
  • MDL No. MFCD00064396
  • Storage RT, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆F₃N
  • Molecular Weight 161.13
  • Synonym(s) 4-Aminobenzotrifluoride
  • SMILES FC(F)(F)C1=CC=C(N)C=C1

Description

4-(Trifluoromethyl)aniline was used in the synthesis of 4-(trialkylmethyl)anilines. It was also used as a synthetic building block.

Application

4-(Trifluoromethyl)aniline serves as a versatile building block in medicinal chemistry and materials science, enabling direct incorporation of the electron-withdrawing trifluoromethyl group into aromatic scaffolds. Its stability under standard reaction conditions and compatibility with common coupling protocols facilitate efficient access to functionalized anilines. The molecule functions effectively in Suzuki-Miyaura, Ullmann, and Buchwald-Hartwig couplings, offering reliable routes to biaryl systems and heterocyclic architectures relevant to pharmaceutical development.

Synthesis

  • Route1

    References

    • Aventis CropScience, S.A. Patent: US6410737 B1, 2002 ; Location in patent: Page column 6 ;
  • Route2

    References

    • Ntaganda, Rukundo; Dhudshia, Bhartesh; Macdonald, Charles L. B.; Thadani, Avinash N. Chemical Communications, 2008 , # 46 p. 6200 - 6202
  • Route3

    References

    • Kim, Jinho; Chang, Sukbok Chemical Communications, 2008 , # 26 p. 3052 - 3054

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS06,GHS09
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H318-H410
Precautionary Statements : P264-P270-P273-P280-P330-P391-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.02
  • LogP   2.2876
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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