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CS-W001157 4
Total: USD 88.00

N-(4-bromo-2-nitro-5-(trifluoromethyl)phenyl)acetamide

  • CAS No. 157554-76-2

  • Cat. No. CS-0333984
  • Molecule weight327.05
  • Purity95+%
  • MDL No.None

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

N-(4-bromo-2-nitro-5-(trifluoromethyl)phenyl)acetamide|CS-0333984

Structure of 157554-76-2

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General Information

  • CAS No. 157554-76-2
  • Cat. No. CS-0333984
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆BrF₃N₂O₃
  • Molecular Weight 327.05
  • Synonym(s) N-[4-bromo-2-nitro-5-(trifluoromethyl)phenyl]acetamide
  • SMILES CC(NC1=C([N+]([O-])=O)C=C(Br)C(C(F)(F)F)=C1)=O

Synthesis

  • Route1

    References

    • Ognyanov, Vassil I.; Balan, Chenera; Bannon, Anthony W.; Bo, Yunxin; Dominguez, Celia; Fotsch, Christopher; Gore, Vijay K.; Klionsky, Lana; Ma, Vu V.; Qian, Yi-Xin; Tamir, Rami; Wang, Xianghong; Xi, Ning; Xu, Shimin; Zhu, Dawn; Gavva, Narender R.; Treanor, James J. S.; Norman, Mark H. Journal of Medicinal Chemistry, 2006 , vol. 49, # 12 p. 3719 - 3742
  • Route2
    • 4-Bromo-3-(trifluoromethyl)aniline Bicalutamide  Impurity|CS-0228847
      393-36-2
    • ~%
    • N-(4-bromo-2-nitro-5-(trifluoromethyl)phenyl)acetamide|CS-0333984
      157554-76-2

    References

    • Journal of Medicinal Chemistry, , vol. 49, # 12 p. 3719 - 3742

Safety Information

Download SDS
GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   72.24
  • LogP   3.3345
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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