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  • 1,3-Diethoxyimidazolium hexafluorophosphate

  • 1,3-Diethoxyimidazolium hexafluorophosphate

    Catalog Number
    ACM951020874-1
    Product Name
    1,3-Diethoxyimidazolium hexafluorophosphate
    Structure
    CAS
    951020-87-4
    Category
    Electrolytes
    Synonyms
    (OEt)2Im-PF6
    Description
    1,3-Diethoxyimidazolium hexafluorophosphate can be prepared by reacting 1-hydroxyimidazole-3-oxide with diethyl sulfate and subsequently with ammonium hexafluorophosphate. It may be used in the preparation of 1,3-diethoxyimidazolium bis(trifluoromethanesulfonyl)imide via ion metathesis with lithium bis(trifluoromethanesulfonyl)imide.
    IUPAC Name
    1,3-diethoxyimidazol-1-ium;hexafluorophosphate
    Molecular Weight
    302.14999999999998
    Molecular Formula
    C7H13F6N2O2P
    Canonical SMILES
    CCON1C=C[N+](=C1)OCC.F[P-](F)(F)(F)(F)F
    InChI
    1S/C7H13N2O2.F6P/c1-3-10-8-5-6-9(7-8)11-4-2;1-7(2,3,4,5)6/h5-7H,3-4H2,1-2H3;/q+1;-1
    InChI Key
    OCMLXXOSZWGVIL-UHFFFAOYSA-N
    Melting Point
    75-80 °C (lit.)
    Flash Point
    Not applicable
    Purity
    ≥97%(H-NMR)
    Appearance
    powder
    Storage
    −20°C
    Complexity
    161
    Covalently-Bonded Unit Count
    2
    Exact Mass
    302.061884g/mol
    Formal Charge
    0
    Heavy Atom Count
    18
    MDL Number
    MFCD11656041
    Monoisotopic Mass
    302.061884g/mol
    Refractive Index
    n20/D 1.4249
    Rotatable Bond Count
    4
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