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N-(4-bromo-2-nitro-5-(trifluoromethyl)phenyl)-2,2,2-trifluoroacetamide

  • CAS No. 156425-51-3

  • Cat. No. CS-0464042
  • Molecule weight381.03
  • Purity≥98%
  • MDL No.MFCD14584783

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

N-(4-bromo-2-nitro-5-(trifluoromethyl)phenyl)-2,2,2-trifluoroacetamide|CS-0464042

Structure of 156425-51-3

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General Information

  • CAS No. 156425-51-3
  • Cat. No. CS-0464042
  • Purity ≥98%
  • MDL No. MFCD14584783
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₃BrF₆N₂O₃
  • Molecular Weight 381.03
  • Synonym(s) N-[4-bromo-2-nitro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide
  • SMILES FC(F)(F)C(NC1=C([N+]([O-])=O)C=C(Br)C(C(F)(F)F)=C1)=O

Synthesis

  • Route1
    • 4-Bromo-3-(trifluoromethyl)aniline Bicalutamide  Impurity|CS-0228847
      393-36-2
    • null|null
      407-25-0
    • ~%
    • N-(4-bromo-2-nitro-5-(trifluoromethyl)phenyl)-2,2,2-trifluoroacetamide|CS-0464042
      156425-51-3

    References

    • US2007/259936 A1, ; Page/Page column 173 ; US 20070259936 A1

Safety Information

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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   3.8769
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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