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CS-W001157 4
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N-(4-chloro-2-nitro-5-(trifluoromethyl)phenyl)-2,2,2-trifluoroacetamide

  • CAS No. 167415-21-6

  • Cat. No. CS-0447812
  • Molecule weight336.58
  • Purity≥98%
  • MDL No.None

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

N-(4-chloro-2-nitro-5-(trifluoromethyl)phenyl)-2,2,2-trifluoroacetamide|CS-0447812

Structure of 167415-21-6

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General Information

  • CAS No. 167415-21-6
  • Cat. No. CS-0447812
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₃ClF₆N₂O₃
  • Molecular Weight 336.58
  • Synonym(s) N-[4-Chloro-2-nitro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide
  • SMILES FC(F)(F)C(NC1=C([N+]([O-])=O)C=C(Cl)C(C(F)(F)F)=C1)=O

Synthesis

  • Route1
    • 4-Chloro-3-(trifluoromethyl)aniline  Regorafenib Impurity|CS-0166941
      320-51-4
    • null|null
      407-25-0
    • ~84%
    • N-(4-chloro-2-nitro-5-(trifluoromethyl)phenyl)-2,2,2-trifluoroacetamide|CS-0447812
      167415-21-6

    References

    • Journal of Organic Chemistry, , vol. 60, # 18 p. 5838 - 5842

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   3.7678
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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