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1-Butyl-3-Methylimidazolium Bis(Trifluoromethylsulfonyl)Imide
CAS: 174899-83-3 | C10H15F6N3O4S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
174899-83-3
Molecular Formula:
C10H15F6N3O4S2
Molecular Mass:
419.37 g/mol
Names and Synonyms:
1-Butyl-3-Methylimidazolium Bis(Trifluoromethylsulfonyl)Imide
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-Butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)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
Identifiers:
SMILES:
CCCCn1cc[n+](C)c1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F
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
Key Properties
Melting Point
-4.9 °C
CAS Common Chemistry
Density
1.44 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 | 419.37 g/mol | CAS Common Chemistry |
| 419.369 g/mol | RDKit | |
| 419.04081728 g/mol | RDKit | |
| Density | 1.44 g/cm³ | CAS Common Chemistry |
| 1.4386 g/cm3 @ Temp: 22.9-23.7 °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)CCCC | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=INDFXCHYORWHLQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -4.9 °C | CAS Common Chemistry |
| Name | 1-Butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 91.19 Ų | RDKit |
| LogP | 2.1720000000000006 | RDKit |
| Molar Refractivity | 73.82460000000002 | RDKit |
