chempirical

1-Ethyl-3-methylimidazolium hexafluorophosphate

C6H11F6N2PCAS 155371-19-0256.13 g/mol

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Properties

Molecular formula
C6H11F6N2P
Molar mass
256.13 g/mol
Exact mass
256.0564 Da
logP
3.71Crippen estimate
Polar surface area
8.8 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 10 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number
155371-19-0
SMILES
CCN1C=C[N+](=C1)C.F[P-](F)(F)(F)(F)F
InChIKey
DPDAKOVGQUGTHH-UHFFFAOYSA-N
InChI
InChI=1S/C6H11N2.F6P/c1-3-8-5-4-7(2)6-8;1-7(2,3,4,5)6/h4-6H,3H2,1-2H3;/q+1;-1

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 1-Ethyl-3-methylimidazolium hexafluorophosphate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1-Ethyl-3-methylimidazolium chloride65039-09-0Salt 1-Ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide174899-82-2Salt 1-Ethyl-3-methylimidazolium ethylsulfate342573-75-5Salt 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate145022-44-2Salt 1-Ethyl-3-methylimidazolium acetate143314-17-4Salt 1-Ethyl-3-methylimidazolium dicyanamide370865-89-7Salt 1-Ethyl-3-methylimidazolium bromide65039-08-9Salt 1-Ethyl-3-methylimidazolium tetrafluoroborate143314-16-3Salt 1-Methylimidazole ethiodide35935-34-3Salt 1-Ethyl-3-methylimidazolium nitrate143314-14-1Salt 1-Ethyl-3-methylimidazolium diethylphosphate848641-69-0Salt 1-Ethyl-3-methylimidazolium P-toluenesulfonate328090-25-1Salt

Similar compounds

1-Butyl-3-methylimidazolium hexafluorophosphate174501-64-566 % similar 1-Hexyl-3-methylimidazolium hexafluorophosphate304680-35-162 % similar 1-Octyl-3-methylimidazolium hexafluorophosphate304680-36-262 % similar 1-Butyl-3-methylimidazolium tetrafluoroborate174501-65-649 % similar 1-Methyl-3-propylimidazolium iodide119171-18-547 % similar 1-Propyl-3-methylimidazolium bromide85100-76-147 % similar 1-Hexyl-3-methylimidazolium tetrafluoroborate244193-50-846 % similar 1-Decyl-3-methylimidazolium tetrafluoroborate244193-56-446 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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