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1,3-Diethoxyimidazolium hexafluorophosphate

Catalog NumberACM951020874-1

CAS Number951020-87-4

CategoryElectrolytes

1,3-Diethoxyimidazolium hexafluorophosphate
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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