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Molecule

1-Ethyl-3-Methylimidazolium Bis(Trifluoromethylsulfonyl)Imide

CAS: 174899-82-2 · C8H11F6N3O4S2

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number
174899-82-2
Molecular Formula
C8H11F6N3O4S2
Molecular Mass
391.32 g/mol

Identifiers

CAS Registry Number

174899-82-2

SMILES

CCn1cc[n+](C)c1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F

InChI Key

LRESCJAINPKJTO-UHFFFAOYSA-N

InChI

InChI=1S/C6H11N2.C2F6NO4S2/c1-3-8-5-4-7(2)6-8;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-6H,3H2,1-2H3;/q+1;-1

Names and Synonyms

  • 1-Ethyl-3-Methylimidazolium Bis(Trifluoromethylsulfonyl)Imide Synonym
  • 1H-Imidazolium, 3-ethyl-1-methyl-, salt with 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide (1:1) Synonym
  • 1H-Imidazolium, 1-ethyl-3-methyl-, salt with 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide (1:1) Synonym
  • Methanesulfonamide, 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]-, ion(1-), 1-ethyl-3-methyl-1H-imidazolium Synonym
  • 1-Ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide Synonym
  • 1-Methyl-3-ethylimidazolium bis(trifluoromethylsulfonyl)imide Synonym
  • 1-Ethyl-3-methyl-1H-imidazolium salt with 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide Synonym
  • 1-Ethyl-3-methylimidazolium bis(triflyl)amide Synonym
  • 1-Ethyl-3-methylimidazolium bistriflimide Synonym
  • 1-Ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide Synonym
  • 1-Ethyl-3-methylimidazolium triflimide Synonym
  • 1-Ethyl-3-methyl-1H-imidazolium bis(trifluoromethylsulfonyl)imide Synonym
  • EMI-TFSI Synonym
  • Elexcel IL 210 Synonym
  • 3-Ethyl-1-methylimidazolium bis(trifluoromethanesulfonyl)imide Synonym
  • 1-Ethyl-3-methyl-1H-imidazolium bis(trifluoromethanesulfonyl)imide Synonym
  • 1-Ethyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]amide Synonym
  • 1-Ethyl-3-methyl-1-H-imidazolium bis(trifluoromethansulfonyl)imide Synonym
  • 1-Ethyl-3-methylimidazolium bis(trifluoromethanesulfonimide) salt Synonym
  • 1-Ethyl-3-methylimidazolium bis(trifluoromethanesylfonyl)imide(1-) Synonym
  • 1-Ethyl-3-methylimidizolium bis(trifluoromethane sulfonyl)imide Synonym
  • Ethylmethylimidazolium bis(trifluoromethanesulfonyl)imide Synonym
  • 1-Ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide(1-) Synonym
  • EMIm bis(trifluoromethanesulfonyl)amide Synonym
  • 1-Ethyl-3-methylimidazolium bis(trifluoromethanesulfonimide) Synonym
  • IL 210 Synonym
  • 1-Ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imidate(1-) Synonym
  • Basionics HP 01 Synonym
  • 1-Ethyl-3-methylimidazolium bis(trifluoromethanesulfone)imide Synonym
  • 1-Ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide(1-) Synonym
  • [C2Mim+][Tf2N-] Synonym
  • [EMIM][TFSI] Synonym
  • 1-Ethyl-3-methylimidazolium bis(trifluorosulfonyl)imide Synonym
  • 1-Ethyl-3-methylimidazolinium bis(trifluoromethylsulfonyl)imide Synonym
  • 1-Ethyl-3-methylimidazolium bis(trifluoromethylsufonyl)imide Synonym

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 391.32 g/mol CAS Common Chemistry
391.31499999999994 g/mol RDKit
391.315 g/mol RDKit
392.309 g/mol chempirical lib
Density 1.50 g/cm³ CAS Common Chemistry
1.5 g/cm3 CAS Common Chemistry
Boiling Point 543.6 °C CAS Common Chemistry
Canonical SMILES O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.C1=C[N+](=CN1C)CC CAS Common Chemistry
InChI InChI=1S/C6H11N2.C2F6NO4S2/c1-3-8-5-4-7(2)6-8;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-6H,3H2,1-2H3;/q+1;-1 CAS Common Chemistry
InChI Key InChIKey=LRESCJAINPKJTO-UHFFFAOYSA-N CAS Common Chemistry
Melting Point -17 °C CAS Common Chemistry
Name 1-Ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide CAS Common Chemistry
Heavy Atom Count 23 RDKit
Hydrogen Bond Acceptors 5 RDKit
4 RDKit
Hydrogen Bond Donors 0 RDKit
Rotatable Bonds 3 RDKit
Aromatic Ring Count 1 RDKit
Topological Polar Surface Area 91.19 Ų RDKit
LogP 1.3917999999999997 RDKit
1.3918 RDKit
Molar Refractivity 64.59060000000001 cm³/mol RDKit
Ring Count 1 RDKit
Formal Charge 0 RDKit
Fraction Csp3 0.625 RDKit
Exact Mass 391.009517152 g/mol RDKit

Spectral Data

NMR, IR, and Mass spectral data

Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

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MW = 391.32 g/mol; density = 1.500 g/mL. Edit any field — others recompute live.

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