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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
Names and Synonyms:
1-Ethyl-3-Methylimidazolium Bis(Trifluoromethylsulfonyl)Imide
1H-Imidazolium, 3-ethyl-1-methyl-, salt with 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide (1:1)
1H-Imidazolium, 1-ethyl-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-ethyl-3-methyl-1H-imidazolium
1-Ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide
1-Methyl-3-ethylimidazolium bis(trifluoromethylsulfonyl)imide
1-Ethyl-3-methyl-1H-imidazolium salt with 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide
1-Ethyl-3-methylimidazolium bis(triflyl)amide
1-Ethyl-3-methylimidazolium bistriflimide
1-Ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide
1-Ethyl-3-methylimidazolium triflimide
1-Ethyl-3-methyl-1H-imidazolium bis(trifluoromethylsulfonyl)imide
EMI-TFSI
Elexcel IL 210
3-Ethyl-1-methylimidazolium bis(trifluoromethanesulfonyl)imide
1-Ethyl-3-methyl-1H-imidazolium bis(trifluoromethanesulfonyl)imide
1-Ethyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]amide
1-Ethyl-3-methyl-1-H-imidazolium bis(trifluoromethansulfonyl)imide
1-Ethyl-3-methylimidazolium bis(trifluoromethanesulfonimide) salt
1-Ethyl-3-methylimidazolium bis(trifluoromethanesylfonyl)imide(1-)
1-Ethyl-3-methylimidizolium bis(trifluoromethane sulfonyl)imide
Ethylmethylimidazolium bis(trifluoromethanesulfonyl)imide
1-Ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide(1-)
EMIm bis(trifluoromethanesulfonyl)amide
1-Ethyl-3-methylimidazolium bis(trifluoromethanesulfonimide)
IL 210
1-Ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imidate(1-)
Basionics HP 01
1-Ethyl-3-methylimidazolium bis(trifluoromethanesulfone)imide
1-Ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide(1-)
[C2Mim+][Tf2N-]
[EMIM][TFSI]
1-Ethyl-3-methylimidazolium bis(trifluorosulfonyl)imide
1-Ethyl-3-methylimidazolinium bis(trifluoromethylsulfonyl)imide
1-Ethyl-3-methylimidazolium bis(trifluoromethylsufonyl)imide
Identifiers:
SMILES:
CCn1cc[n+](C)c1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
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
Key Properties
Boiling Point
543.6 °C
CAS Common Chemistry
Melting Point
-17 °C
CAS Common Chemistry
Density
1.50 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 391.32 g/mol | CAS Common Chemistry |
| 391.31499999999994 g/mol | RDKit | |
| 391.009517152 g/mol | RDKit | |
| 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 |
| 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 |
| Molar Refractivity | 64.59060000000001 | RDKit |
