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CS-W001157 4
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1-(2-Amino-5-methylphenyl)-2,2,2-trifluoroethan-1-one

  • CAS No. 205756-35-0

  • Cat. No. CS-0215879
  • Purity≥95%
  • MDL No.None

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

1-(2-Amino-5-methylphenyl)-2,2,2-trifluoroethan-1-one|CS-0215879

Structure of 205756-35-0

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General Information

  • CAS No. 205756-35-0
  • Cat. No. CS-0215879
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈F₃NO
  • Molecular Weight 203.16
  • Synonym(s) 1-(2-Amino-5-methylphenyl)-2,2,2-trifluoroethanone
  • SMILES CC1=CC(=C(C=C1)N)C(=O)C(F)(F)F

Synthesis

  • Route1
    • N-(4-Methyl-2-(2,2,2-trifluoroacetyl)phenyl)pivalamide|CS-0903308
      205756-34-9
    • ~93%
    • In-stock
      1-(2-Amino-5-methylphenyl)-2,2,2-trifluoroethan-1-one|CS-0215879
      205756-35-0

    References

    • Patel, Mona; Ko, Soo S.; McHugh Jr., Robert J.; Markwalder, Jay A.; Srivastava, Anurag S.; Cordova, Beverly C.; Klabe, Ronald M.; Erickson-Viitanen, Susan; Trainor, George L.; Seitz, Steven P. Bioorganic and Medicinal Chemistry Letters, 1999 , vol. 9, # 19 p. 2805 - 2810
  • Route2

    References

    • Patel, Mona; Ko, Soo S.; McHugh Jr., Robert J.; Markwalder, Jay A.; Srivastava, Anurag S.; Cordova, Beverly C.; Klabe, Ronald M.; Erickson-Viitanen, Susan; Trainor, George L.; Seitz, Steven P. Bioorganic and Medicinal Chemistry Letters, 1999 , vol. 9, # 19 p. 2805 - 2810

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   43.09
  • LogP   2.32222
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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