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CS-W001157 4
Total: USD 88.00

N-(4-Cyano-3-(trifluoromethyl)phenyl)methacrylamide

  • CAS No. 90357-53-2

  • Cat. No. CS-0158076
  • Purity≥98%
  • MDL No.MFCD03411609

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

N-(4-Cyano-3-(trifluoromethyl)phenyl)methacrylamide|CS-0158076

Structure of 90357-53-2

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General Information

  • CAS No. 90357-53-2
  • Cat. No. CS-0158076
  • Purity ≥98%
  • MDL No. MFCD03411609
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₉F₃N₂O
  • Molecular Weight 254.21
  • Synonym(s) N-Methacryloyl-4-cyano-3-trifluoromethylaniline
  • SMILES C=C(C(NC1=CC(C(F)(F)F)=C(C#N)C=C1)=O)C

Synthesis

  • Route1
    • In-stock
      2-Trifluoromethyl-4-aminobenzonitrile Bicalutamide Impurity|CS-0229728
      654-70-6
    • null|null
      920-46-7
    • ~57%
    • In-stock
      N-(4-Cyano-3-(trifluoromethyl)phenyl)methacrylamide|CS-0158076
      90357-53-2

    References

    • Parent, Ephraim E.; Dence, Carmen S.; Jenks, Carl; Sharp, Terry L.; Welch, Michael J.; Katzenellenbogen, John A. Journal of Medicinal Chemistry, 2007 , vol. 50, # 5 p. 1028 - 1040
  • Route2

    References

    • Chen, Bang-Chi; Sundeen, Joseph E.; Zhao, Rulin Patent: US2002/86902 A1, 2002 ;
  • Route3
    • null|null
      79-41-4
    • In-stock
      2-Trifluoromethyl-4-aminobenzonitrile Bicalutamide Impurity|CS-0229728
      654-70-6
    • ~94%
    • In-stock
      N-(4-Cyano-3-(trifluoromethyl)phenyl)methacrylamide|CS-0158076
      90357-53-2

    References

    • Sumitomo Chemical Company, Limited Patent: EP2204362 A1, 2010 ; Location in patent: Page/Page column 4-5 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07,GHS08,GHS09
Signal Word : Warning
UN#: 3077
Class : 9
Packing Group : Ⅲ
Hazard Statements : H302+H312+H332-H315-H319-H373-H411
Precautionary Statements : P260-P261-P264-P270-P271-P273-P280-P302+P352-P304+P340-P330-P362+P364-P391-P501

Quality Control

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Computational Chemistry Data

  • TPSA   52.89
  • LogP   3.09168
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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