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CS-W001157 4
Total: USD 88.00

4-(Trifluoromethyl)aniline hydrochloride

  • CAS No. 90774-69-9

  • Cat. No. CS-0008093
  • Molecule weight197.59
  • Purity≥97%
  • MDL No.MFCD00007897

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

4-(Trifluoromethyl)aniline hydrochloride|CS-0008093

Structure of 90774-69-9

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General Information

  • CAS No. 90774-69-9
  • Cat. No. CS-0008093
  • Purity ≥97%
  • MDL No. MFCD00007897
  • Storage Store at room temperature, keep dry and cool
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇ClF₃N
  • Molecular Weight 197.59
  • Synonym(s) 4-Aminobenzotrifluoride hydrochloride
  • SMILES NC1=CC=C(C(F)(F)F)C=C1.Cl

Description

4-Aminobenzotrifluoride hydrochloride may be used in the synthesis of 2-(4-((6-Chloro-2-quinoxalinyl)oxy)phenoxy)-N-(4-(trifluoromethyl)phenyl)propanamide.

Application

4-(Trifluoromethyl)aniline (hydrochloride) serves as a versatile building block in medicinal chemistry and agrochemical synthesis, offering enhanced metabolic stability and lipophilicity due to the trifluoromethyl group. The hydrochloride salt improves solubility and handling, enabling efficient coupling reactions, electrophilic substitutions, and transition-metal-catalyzed transformations. Its robustness under standard reaction conditions supports reliable incorporation into complex heterocyclic scaffolds and API intermediates.

Synthesis

  • Route1
    • null|null
      402-51-7
    • ~68%
    • In-stock
      4-(Trifluoromethyl)aniline hydrochloride|CS-0008093
      90774-69-9

    References

    • Tsutsui, Hironori; Ichikawa, Tomoko; Narasaka, Koichi Bulletin of the Chemical Society of Japan, 1999 , vol. 72, # 8 p. 1869 - 1878
  • Route2

    References

    • Wang, Gong-Bao; Wang, Lin-Fa; Li, Chao-Zhang; Sun, Jing; Zhou, Guang-Ming; Yang, Da-Cheng Research on Chemical Intermediates, 2012 , vol. 38, # 1 p. 77 - 89
  • Route3

    References

    • Wang, Gong-Bao; Wang, Lin-Fa; Li, Chao-Zhang; Sun, Jing; Zhou, Guang-Ming; Yang, Da-Cheng Research on Chemical Intermediates, 2012 , vol. 38, # 1 p. 77 - 89

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+H312+H332-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.02
  • LogP   2.7094
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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