1,2-Dimethyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide

C10H15F6N3O4S2CAS 169051-76-7419.36 g/mol

Open in Covalent MOL file
NN+OSON−SOOFFFFFF
Alkyl halide

Properties

Molecular formula
C10H15F6N3O4S2
Molar mass
419.36 g/mol
Exact mass
419.0408 Da
Density
1.4542 g/mL (at NaN °C)
Melting point
11.29 °C
logP
2.09Crippen estimate
Polar surface area
91.2 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
169051-76-7
SMILES
CCCn1cc[n+](C)c1C.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIKey
XOZHIVUWCICHSQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H15N2.C2F6NO4S2/c1-4-5-10-7-6-9(3)8(10)2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h6-7H,4-5H2,1-3H3;/q+1;-1

Weigh it out

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

Names and synonyms

4 names
  • 1H-Imidazolium, 1,2-dimethyl-3-propyl-, salt with 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide (1:1)
  • Methanesulfonamide, 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]-, ion(1-), 1,2-dimethyl-3-propyl-1H-imidazolium
  • 1,2-Dimethyl-3-propylimidazolium-bis(trifluoromethanesulfonyl)imide
  • 1,2-Dimethyl-3-propylimidazolium bis[(trifluoromethyl)sulfonyl]amide

Work with 1,2-Dimethyl-3-propylimidazolium bis(trifluoromethylsulfonyl)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-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 Potassium bis(trifluoromethanesulfonly)imide90076-67-8Salt

Similar compounds

1-Butyl-2,3-dimethylimidazolium hexafluorophosphate227617-70-150 % similar 1-Butyl-2,3-dimethylimidazolium tetrafluoroborate402846-78-050 % similar 1-Butyl-2,3-dimethylimidazolium bromide475575-45-250 % similar 1-Butyl-2,3-dimethylimidazolium chloride98892-75-250 % similar 1-Hexyl-2,3-dimethylimidazolium tetrafluoroborate384347-21-148 % similar 1-Hexyl-2,3-dimethylimidazolium bromide411222-01-048 % similar 1-Hexyl-2,3-dimethylimidazolium chloride455270-59-448 % similar 1-Ethyl-2,3-dimethylimidazolium hexafluorophosphate292140-86-442 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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