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CS-W001157 4
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3-Acetyl-6-(trifluoromethyl)pyridin-2(1H)-one

  • CAS No. 116548-05-1

  • Cat. No. CS-0168125
  • Purity≥98%
  • MDL No.MFCD09754105

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

3-Acetyl-6-(trifluoromethyl)pyridin-2(1H)-one|CS-0168125

Structure of 116548-05-1

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General Information

  • CAS No. 116548-05-1
  • Cat. No. CS-0168125
  • Purity ≥98%
  • MDL No. MFCD09754105
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆F₃NO₂
  • Molecular Weight 205.13
  • Synonym(s) 3-Acetyl-6-(trifluoromethyl)-1,2-dihydropyridin-2-one
  • SMILES O=C1C(C(C)=O)=CC=C(C(F)(F)F)N1

Synthesis

  • Route1
    • In-stock
      Acetoacetamide|CS-0134202
      5977-14-0
    • (E)-4-butoxy-1,1,1-trifluorobut-3-en-2-one|CS-0440785
      109317-78-4
    • ~59%
    • In-stock
      3-Acetyl-6-(trifluoromethyl)pyridin-2(1H)-one|CS-0168125
      116548-05-1

    References

    • Lang; Wenk Helvetica Chimica Acta, 1988 , vol. 71, # 3 p. 596 - 601

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   49.93
  • LogP   1.5963
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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