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CS-W001157 4
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1,3-Dimethyl-1H-imidazol-3-ium trifluoromethanesulfonate

  • CAS No. 121091-30-3

  • Cat. No. CS-0569325
  • Molecule weight246.21
  • Purity≥98%
  • MDL No.None

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

1,3-Dimethyl-1H-imidazol-3-ium trifluoromethanesulfonate|CS-0569325

Structure of 121091-30-3

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General Information

  • CAS No. 121091-30-3
  • Cat. No. CS-0569325
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₉F₃N₂O₃S
  • Molecular Weight 246.21
  • Synonym(s) 1,3-Dimethylimidazolium trifluoromethanesulfonate
  • SMILES CN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[O-]

Synthesis

  • Route1

    References

    • Alcalde, Ermitas; Dinares, Immaculada; Ibanez, Anna; Mesquida, Neus Molecules, 2012 , vol. 17, # 4 p. 4007 - 4027
  • Route2

    References

    • Ignat'ev, Nikolai V.; Barthen, Peter; Kucheryna, Andryi; Willner, Helge; Sartori, Peter Molecules, 2012 , vol. 17, # 5 p. 5319 - 5338
  • Route3

    References

    • Dinares, Immaculada; Garcia De Miguel, Cristina; Ibanez, Anna; Mesquida, Neus; Alcalde, Ermitas Green Chemistry, 2009 , vol. 11, # 10 p. 1507 - 1510

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   66.01
  • LogP   -0.099
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   0

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