1-Butyl-3-methylimidazolium trifluoromethanesulfonate

C9H15F3N2O3SCAS 174899-66-2288.29 g/mol

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Alkyl halideSulfonic acid

Properties

Molecular formula
C9H15F3N2O3S
Molar mass
288.29 g/mol
Exact mass
288.0755 Da
Density
1.3013 (at NaN °C)
Melting point
16.4 °C
logP
1.16Crippen estimate
Polar surface area
66.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 150 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P391, P405, P501

Identifiers

CAS number
174899-66-2
SMILES
CCCCn1cc[n+](C)c1.O=S(=O)([O-])C(F)(F)F
InChIKey
FRZPYEHDSAQGAS-UHFFFAOYSA-M
InChI
InChI=1S/C8H15N2.CHF3O3S/c1-3-4-5-10-7-6-9(2)8-10;2-1(3,4)8(5,6)7/h6-8H,3-5H2,1-2H3;(H,5,6,7)/q+1;/p-1

Weigh it out

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

Names and synonyms

16 names · show all
  • 1H-Imidazolium, 3-butyl-1-methyl-, 1,1,1-trifluoromethanesulfonate (1:1)
  • 1H-Imidazolium, 1-butyl-3-methyl-, salt with trifluoromethanesulfonic acid (1:1)
  • 1-Butyl-3-methylimidazolium triflate
  • 1-n-Butyl-3-methylimidazolium triflate
  • 1-Butyl-3-methyl-1H-imidazolium salt with trifluoromethanesulfonic acid (1:1)
  • 1-Butyl-3-methyl-1H-imidazolium trifluoromethanesulfonate
  • 3-Butyl-1-methylimidazolium triflate
  • Bmim triflate
  • B 2337
  • 1-Methyl-3-butylimidazolium trifluoromethylsulfonate
  • 1-Methyl-3-butylimidazolium trifluoromethanesulfonate
  • [MIM][OTf]
  • Butylmethylimidazolium trifluoromethanesulfonate
  • 1-Butyl-3-methylimidazolium trifluoromethanesulfonate(1-)
  • 1-Butyl-3-methylimidazolium trifluoromethansulfonate
  • 1-Butyl-3-methylimidazolium trifluoromethanesufonate

Work with 1-Butyl-3-methylimidazolium trifluoromethanesulfonate

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.

Triflic acid1493-13-6Free acid Lithium triflate33454-82-9Salt Zinc triflate54010-75-2Salt Copper(II) triflate34946-82-2Salt Silver trifluoromethanesulfonate2923-28-6Salt 1-Butyl-3-methylimidazolium hexafluorophosphate174501-64-5Salt 1-Butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide174899-83-3Salt Scandium(III) trifluoromethanesulfonate144026-79-9Salt N-Fluoropyridinium triflate107263-95-6Salt 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate145022-44-2Salt Triphenylsulfonium triflate66003-78-9Salt 1-Butyl-3-methylimidazolium chloride79917-90-1Salt

Similar compounds

1-Decyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide433337-23-664 % 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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