1-Ethyl-2,3-dimethylimidazolium bis(trifluoromethanesulfonyl)imide

C9H13F6N3O4S2CAS 174899-90-2405.33 g/mol

Open in Covalent MOL file
NN+FFFSOON−SOOFFF
Alkyl halide

Properties

Molecular formula
C9H13F6N3O4S2
Molar mass
405.33 g/mol
Exact mass
405.0252 Da
logP
1.70Crippen estimate
Polar surface area
91.2 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
174899-90-2
SMILES
CCN1C=C[N+](=C1C)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
InChIKey
XDJYSDBSJWNTQT-UHFFFAOYSA-N
InChI
InChI=1S/C7H13N2.C2F6NO4S2/c1-4-9-6-5-8(3)7(9)2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h5-6H,4H2,1-3H3;/q+1;-1

Weigh it out

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

Work with 1-Ethyl-2,3-dimethylimidazolium bis(trifluoromethanesulfonyl)imide

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.

Bistriflimide82113-65-3Free acid Lithium bis(trifluoromethanesulfonyl)imide90076-65-6Salt 1-Butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide174899-83-3Salt 1-Ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide174899-82-2Salt 1-Butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide223437-11-4Salt 1,2-Dimethyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide169051-76-7Salt 1-(2-Hydroxyethyl)-3-methylimidazolium Bis(trifluoromethanesulfonyl)imide174899-86-6Salt 1-Allyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide655249-87-9Salt 1-Butyl-2,3-dimethylimidazolium bis(trifluoromethylsulfonyl)imide350493-08-2Salt 1-Decyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide433337-23-6Salt Sliver bis(trifluoromethane sulfonimide)189114-61-2Salt 1-Butylpyridinium bis(trifluoromethylsulfonyl)imide187863-42-9Salt

Similar compounds

1,2-Dimethyl-3-propylimidazolium iodide218151-78-142 % similar 1-Butyl-2,3-dimethylimidazolium hexafluorophosphate227617-70-140 % similar 1-Butyl-2,3-dimethylimidazolium tetrafluoroborate402846-78-040 % similar 1-Butyl-2,3-dimethylimidazolium bromide475575-45-240 % similar 1-Butyl-2,3-dimethylimidazolium chloride98892-75-240 % similar 1-Hexyl-2,3-dimethylimidazolium tetrafluoroborate384347-21-139 % similar 1-Hexyl-2,3-dimethylimidazolium bromide411222-01-038 % similar 1-Hexyl-2,3-dimethylimidazolium chloride455270-59-438 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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