1-Butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide

C₁₀H₁₅F₆N₃O₄S₂CAS 174899-83-3419.36 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₁₀H₁₅F₆N₃O₄S₂
Molar mass: 419.36 g/mol
Exact mass: 419.0408 Da
Density: 1.4386 g/mL (at NaN °C)
Melting point: −4.9 °C
logP: 2.17Crippen estimate
Polar surface area: 91.2 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 5

Hazards

Danger

H301+H311 Toxic if swallowed or in contact with skin93% of notifiers
H301 Toxic if swallowed97.7% of notifiers
H311 Toxic in contact with skin93% of notifiers
H314 Causes severe skin burns and eye damage93% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure93% of notifiers
H411 Toxic to aquatic life with long lasting effects93% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P262, P264, P270, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P361+P364, P363, P391, P405, P501

Identifiers

CAS number

174899-83-3

SMILES

CCCCn1cc[n+](C)c1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F

InChIKey

INDFXCHYORWHLQ-UHFFFAOYSA-N

InChI

InChI=1S/C8H15N2.C2F6NO4S2/c1-3-4-5-10-7-6-9(2)8-10;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h6-8H,3-5H2,1-2H3;/q+1;-1

Weigh it out

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

Names and synonyms

38 names · show all

1H-Imidazolium, 3-butyl-1-methyl-, salt with 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide (1:1)
1-Butyl-3-methylimidazolium N,N-bis(trifluoromethanesulfonyl)imide
1-Butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide(1-)
1-Butyl-3-methyl-1H-imidazolium N,N-bis[(trifluoromethyl)sulfonyl]amide
1-Butyl-3-methylimidazolium bis(trifluoromethane)sulfonimide
1-Butyl-3-methylimidazolium bistriflamide
3-Butyl-1-methylimidazolium bis(trifluoromethanesulfonyl)imide
3-Butyl-1-methylimidazolium bis(trifluoromethylsulfonyl)imide
1-Butyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]amide
1-Butyl-3-methylimidiazolium bis(trifluoromethanesulfonyl)imide
1-Butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)amide
1-n-Butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide
1-Butyl-3-methylimidazolium triflimide
Bmim bis(trifluoromethanesulfonyl)imide
1-Butyl-3-methylimidazolium bis(trifluoromethanesulfonimide) salt
1-Butyl-3-methylimidazolium bis(trifluoromethanesylfonyl)imide(1-)
1-Methyl-3-butylimidazolium bis(trifluoromethylsulfonyl)imide
1-Butyl-3-methyl-1H-imidazolium N,N-bis(trifluoromethanesulfonyl)imide
BMI-TFSI
1-Butyl-3-methylimidazolium bis((trifluoromethy)sulfonyl)imide
1-Butyl-3-methyl-1H-imidazolium 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide(1-)
1-Butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide(1-)
[C4Mim+][tf2N-]
1-Butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imidate
1-Butyl-3-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide
BMIM-TFSI
Butyl methyl imidazolium bis(trifluoromethyl)sulfonimide
BMI-N 111
1-Butyl-3-methylimidazolium bis(trifluoromethylsufonyl)imide
1H-Imidazolium, 1-butyl-3-methyl-, salt with 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide (1:1)
Methanesulfonamide, 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]-, ion(1-), 1-butyl-3-methyl-1H-imidazolium
1-Butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide
1-n-Butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide
1-Butyl-3-methylimidazolium bistriflimide
1-Butyl-3-methyl-1H-imidazolium salt with 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide (1:1)
1-Butyl-3-methyl-1H-imidazolium salt with 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide
1-Butyl-3-methylimidazolium bis(triflyl)imide
1-Butyl-3-methylimidazolium N,N-bis(trifluoromethylsulfonyl)amide

Work with 1-Butyl-3-methylimidazolium 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 hexafluorophosphate174501-64-5Salt 1-Ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide174899-82-2Salt 1-Butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide223437-11-4Salt 1-Butyl-3-methylimidazolium trifluoromethanesulfonate174899-66-2Salt 1-Butyl-3-methylimidazolium chloride79917-90-1Salt 1-Butyl-3-methylimidazolium tetrafluoroborate174501-65-6Salt 1-Butyl-3-methylimidazolium bromide85100-77-2Salt 1-Butyl-3-methylimidazolium thiocyanate344790-87-0Salt 1,2-Dimethyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide169051-76-7Salt 1-(2-Hydroxyethyl)-3-methylimidazolium Bis(trifluoromethanesulfonyl)imide174899-86-6Salt

Similar compounds

1-Hexyl-3-methylimidazolium trifluoromethanesulfonate460345-16-864 % similar 1-Dodecyl-3-methyl-1H-imidazol-3-ium Chloride114569-84-552 % similar 1-Hexadecyl-3-methylimidazolium bromide132361-22-952 % similar 1-Hexyl-3-methylimidazolium chloride171058-17-652 % similar 1-Decyl-3-methylimidazolium chloride171058-18-752 % similar 1-Decyl-3-methylimidazolium bromide188589-32-452 % similar 1-Tetradecyl-3-methylimidazolium bromide471907-87-652 % similar 1-Methyl-3-N-octylimidazolium bromide61545-99-152 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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