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N-(4-Chloro-3-(trifluoromethyl)phenyl)acetamide  Regorafenib Impurity

  • CAS No. 348-90-3

  • Cat. No. CS-0166945
  • Molecule weight237.61
  • Purity≥98%
  • MDL No.None

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

N-(4-Chloro-3-(trifluoromethyl)phenyl)acetamide  Regorafenib Impurity|CS-0166945

Structure of 348-90-3

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General Information

  • CAS No. 348-90-3
  • Cat. No. CS-0166945
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇ClF₃NO
  • Molecular Weight 237.61
  • Synonym(s) n-[4-Chloro-3-(trifluoromethyl)phenyl]acetamide
  • SMILES CC(NC1=CC=C(Cl)C(C(F)(F)F)=C1)=O

Synthesis

  • Route1
    • null|null
      56-23-5
    • N-(4-Chlorophenyl)acetamide Paracetamol Impurity|CS-0229687
      539-03-7
    • ~85%
    • N-(4-Chloro-3-(trifluoromethyl)phenyl)acetamide  Regorafenib Impurity|CS-0166945
      348-90-3

    References

    • Debarge, Sebastien; Violeau, Bruno; Bendaoud, Nohair; Jacquesy, Jean-Claude Tetrahedron Letters, 2003 , vol. 44, # 9 p. 1747 - 1750
  • Route2
    • 4-Chloro-3-(trifluoromethyl)aniline  Regorafenib Impurity|CS-0166941
      320-51-4
    • ~99%
    • N-(4-Chloro-3-(trifluoromethyl)phenyl)acetamide  Regorafenib Impurity|CS-0166945
      348-90-3

    References

    • The State of Oregon, acting by and through The Oregon State Board of Higher Education, acting for and on behalf of The Oregon Health Sciences University; The University of Oregon; The Regents of the University of California Patent: US5514680 A1, 1996 ; US 5514680 A

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

Quality Control

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Computational Chemistry Data

  • TPSA   29.1
  • LogP   3.3172
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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