1-Butyl-2,3-dimethylimidazolium bis(trifluoromethylsulfonyl)imide

C₁₁H₁₇F₆N₃O₄S₂CAS 350493-08-2433.38 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₁₁H₁₇F₆N₃O₄S₂
Molar mass: 433.38 g/mol
Exact mass: 433.0565 Da
logP: 2.48Crippen estimate
Polar surface area: 91.2 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 5

Hazards

Danger

H301 Toxic if swallowed50% of notifiers
H314 Causes severe skin burns and eye damage25% of notifiers
H315 Causes skin irritation25% of notifiers
H318 Causes serious eye damage25% of notifiers
H319 Causes serious eye irritation25% of notifiers

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

Precautionary statements

P260, P264, P264+P265, P270, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P362+P364, P363, P405, P501

Identifiers

CAS number

350493-08-2

SMILES

CCCCN1C=C[N+](=C1C)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

InChIKey

UCCKRVYTJPMHRO-UHFFFAOYSA-N

InChI

InChI=1S/C9H17N2.C2F6NO4S2/c1-4-5-6-11-8-7-10(3)9(11)2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h7-8H,4-6H2,1-3H3;/q+1;-1

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Names and synonyms

1 names

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

Work with 1-Butyl-2,3-dimethylimidazolium 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-Dimethyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide169051-76-7Salt 1-(2-Hydroxyethyl)-3-methylimidazolium Bis(trifluoromethanesulfonyl)imide174899-86-6Salt 1-Butylpyridinium bis(trifluoromethylsulfonyl)imide187863-42-9Salt 1-Decyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide433337-23-6Salt Sliver bis(trifluoromethane sulfonimide)189114-61-2Salt 1-Butyl-2,3-dimethylimidazolium bromide475575-45-2Salt 1-Ethyl-2,3-dimethylimidazolium bis(trifluoromethanesulfonyl)imide174899-90-2Salt

Similar compounds

1-Hexyl-2,3-dimethylimidazolium bromide411222-01-055 % similar 1-Hexyl-2,3-dimethylimidazolium chloride455270-59-455 % similar 1-Hexyl-2,3-dimethylimidazolium tetrafluoroborate384347-21-155 % similar 1,2-Dimethyl-3-propylimidazolium iodide218151-78-150 % similar 1-Ethyl-2,3-dimethylimidazolium hexafluorophosphate292140-86-440 % similar 1-Ethyl-2,3-dimethylimidazolium tetrafluoroborate307492-75-740 % similar 1-Ethyl-2,3-dimethylimidazolium bromide98892-76-340 % similar 1-Butyl-3-methylimidazolium trifluoromethanesulfonate174899-66-238 % similar

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

Elsewhere

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