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CS-W001157 4
Total: USD 88.00

2-Trifluoromethyl-4-aminobenzonitrile Bicalutamide Impurity

  • CAS No. 654-70-6

  • Cat. No. CS-0229728
  • Molecule weightNone
  • Purity≥98%
  • MDL No.MFCD00042155

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

2-Trifluoromethyl-4-aminobenzonitrile Bicalutamide Impurity|CS-0229728

Structure of 654-70-6

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General Information

  • CAS No. 654-70-6
  • Cat. No. CS-0229728
  • Purity ≥98%
  • MDL No. MFCD00042155
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅F₃N₂
  • Molecular Weight None
  • Synonym(s) Buttpark 22\01-63
  • SMILES N#CC1=CC=C(N)C=C1C(F)(F)F

Synthesis

  • Route1
    • 4-Bromo-3-(trifluoromethyl)aniline Bicalutamide  Impurity|CS-0228847
      393-36-2
    • ~78%
    • In-stock
      2-Trifluoromethyl-4-aminobenzonitrile Bicalutamide Impurity|CS-0229728
      654-70-6

    References

    • AGOURON PHARMACEUTICALS, INC. Patent: EP365763 A1, 1990 ;
  • Route2
    • 4-Chloro-2-(trifluoromethyl)benzonitrile|CS-W015361
      320-41-2
    • ~%
    • In-stock
      2-Trifluoromethyl-4-aminobenzonitrile Bicalutamide Impurity|CS-0229728
      654-70-6

    References

    • Journal of the American Chemical Society, , vol. 76, p. 1051,1054
  • Route3
    • null|null
      544-92-3
    • 4-Bromo-3-(trifluoromethyl)aniline Bicalutamide  Impurity|CS-0228847
      393-36-2
    • ~76%
    • In-stock
      2-Trifluoromethyl-4-aminobenzonitrile Bicalutamide Impurity|CS-0229728
      654-70-6

    References

    • Jones, Terence R.; Varney, Michael D.; Webber, Stephen E.; Lewis, Kathleen K.; Marzoni, Gifford P.; Palmer, Cindy L.; Kathardekar, Vinit; Welsh, Katharine M.; Webber, Stephanie; Matthews, David A.; Appelt, Krzysztof; Smith, Ward W.; Janson, Cheryl A.; Villafranca; Bacquet, Russell J.; Howland, Eleanor F.; Booth, Carol L. J.; Herrmann, Steven M.; Ward, Robert W.; White, Jennifer; Moomaw, Ellen W.; Bartlett, Charlotte A.; Morse, Cathy A. Journal of Medicinal Chemistry, 1996 , vol. 39, # 4 p. 904 - 917

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-H317
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   49.81
  • LogP   2.15928
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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