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2,2,2-Trifluoro-1-(1-methyl-1h-imidazol-2-yl)ethan-1-one

  • CAS No. 62366-56-7

  • Cat. No. CS-0241069
  • Purity≥97%
  • MDL No.None

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

2,2,2-Trifluoro-1-(1-methyl-1h-imidazol-2-yl)ethan-1-one|CS-0241069

Structure of 62366-56-7

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General Information

  • CAS No. 62366-56-7
  • Cat. No. CS-0241069
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅F₃N₂O
  • Molecular Weight 178.11
  • Synonym(s) Ethanone, 2,2,2-trifluoro-1-(1-methyl-1H-imidazol-2-yl)- (9CI)
  • SMILES O=C(C1=NC=CN1C)C(F)(F)F

Synthesis

  • Route1

    References

    • Khodakovskiy, Pavel V.; Volochnyuk, Dmitriy M.; Panov, Dmitriy M.; Pervak, Igor I.; Zarudnitskii, Evgenij V.; Shishkin, Oleg V.; Yurchenko, Aleksandr A.; Shivanyuk, Alexander; Tolmachev, Andrey A. Synthesis, 2008 , # 6 p. 948 - 956

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   34.89
  • LogP   1.1651
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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