1-Ethyl-3-methylimidazolium trifluoromethanesulfonate

C7H11F3N2O3SCAS 145022-44-2260.23 g/mol

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Alkyl halideSulfonic acid

Properties

Molecular formula
C7H11F3N2O3S
Molar mass
260.23 g/mol
Exact mass
260.0442 Da
Density
1.36 g/mL
Melting point
−10 °C
Boiling point
388.9 °C
logP
0.38Crippen estimate
Polar surface area
66.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Not classified as hazardous under GHS by 115 ECHA notifiers. Aggregated from 115 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
145022-44-2
SMILES
CCn1cc[n+](C)c1.O=S(=O)([O-])C(F)(F)F
InChIKey
ZPTRYWVRCNOTAS-UHFFFAOYSA-M
InChI
InChI=1S/C6H11N2.CHF3O3S/c1-3-8-5-4-7(2)6-8;2-1(3,4)8(5,6)7/h4-6H,3H2,1-2H3;(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

13 names · show all
  • 1H-Imidazolium, 3-ethyl-1-methyl-, 1,1,1-trifluoromethanesulfonate (1:1)
  • 1H-Imidazolium, 1-ethyl-3-methyl-, salt with trifluoromethanesulfonic acid (1:1)
  • 1-Ethyl-3-methylimidazolium triflate
  • 1-Ethyl-3-methylimidazolium trifluoromethylsulfonate(1-)
  • 3-Ethyl-1-methylimidazolium triflate
  • 1-Ethyl-3-methyl-1H-imidazolium trifluoromethanesulfonate
  • 1-Methyl-3-ethylimidazolium trifluoromethylsulfonate
  • 1-Methyl-3-ethylimidazolium trifluoromethanesulfonate
  • 1-Ethyl-3-methylimidazolium trifluoromethylsulfonate
  • 1-Ethyl-3-methylimidazolium triflouromethansulfonate
  • 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate(1-)
  • 1-Ethyl-3-methylimidazolinium triflate
  • 1-Ethyl-3-methylimidazolium trifluoromethanesufonate

Work with 1-Ethyl-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 Boiling point under vacuumAt any pressure, from its normal boiling point 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 Scandium(III) trifluoromethanesulfonate144026-79-9Salt N-Fluoropyridinium triflate107263-95-6Salt 1-Ethyl-3-methylimidazolium chloride65039-09-0Salt 1-Ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide174899-82-2Salt 1-Butyl-3-methylimidazolium trifluoromethanesulfonate174899-66-2Salt Triphenylsulfonium triflate66003-78-9Salt Yttrium triflate52093-30-8Salt

Similar compounds

1-Butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide174899-83-349 % similar 1-Decyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide433337-23-647 % similar 1-(2-Hydroxyethyl)-3-methylimidazolium Bis(trifluoromethanesulfonyl)imide174899-86-647 % similar 1-Allyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide655249-87-947 % similar 1-Butyl-3-methylimidazolium methanesulfonate342789-81-544 % similar 1-Butyl-3-methylimidazolium hydrogen sulfate262297-13-243 % similar 1-Butyl-3-methylimidazolium tetrafluoroborate174501-65-640 % similar Hafnium(IV) trifluoromethanesulfonate161337-67-338 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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