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Lithium Bis(Trifluoromethanesulfonyl)Imide
CAS: 90076-65-6 | C2HF6LiNO4S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
90076-65-6
Molecular Formula:
C2HF6LiNO4S2
Molecular Mass:
288.10 g/mol
Names and Synonyms:
Lithium Bis(Trifluoromethanesulfonyl)Imide
Methanesulfonamide, 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]-, lithium salt (1:1)
Methanesulfonamide, 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]-, lithium salt
Lithium bis(trifluoromethylsulfonyl)imide
Lithium bis(trifluoromethanesulfonyl)imide
Lithium bis(trifluoromethylsulfonyl)amide
Fluorad HQ 115
Lithium triflimide
Bis[(trifluoromethyl)sulfonyl]imide lithium salt
HQ 115
LiTFSI
Lithium bistriflamide
1,1,1-Trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide lithium salt
Lithiotrifluoromethanesulfonimide
Lithium bis(trifluoromethane)sulfonimide
Lithium bis(perfluoromethylsulfonyl)imide
Lithium bis(trifluoromethane sulfone)imide
Fluorinert HQ 115
Fluorinert HQ 115J
N,N-Bis[(trifluoromethyl)sulfonyl]amine lithium salt
MEK 50R
Lithium bis(trifluoromethanesulfonyl)amide
Bis(trifluoromethane)sulfonimide lithium salt
Sankonol EAc 20R
LJ 603010
Lithium bis(trifluromethanesulfonyl)imide
Lithium bis(trifluoromethylsulfonyl)imidate
Lithium bis(trifluoromethanesulfonyl)imide(1-)
Lithium bis(trifluoromethyl)sulfonylamine
Lithium bis(trifluoromethylsulfonyl)imidate(1-)
EF-N 115
Sankonol MEK 50R
Lithium triflamide
LiNTf2
Lithium bis(trifluoromethane)sulfonimidate
Eftop EF-N 115
Identifiers:
SMILES:
O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.[Li]
InChI:
InChI=1S/C2HF6NO4S2.Li/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h9H;
Key Properties
Melting Point
238.00 °C
CAS Common Chemistry
Density
2.27 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 | 288.10 g/mol | CAS Common Chemistry |
| 288.0959999999999 g/mol | RDKit | |
| 287.94112338200006 g/mol | RDKit | |
| Density | 2.27 g/cm³ | CAS Common Chemistry |
| 2.27 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Lithium_bis(trifluoromethanesulfonyl)imide | CAS Common Chemistry |
| Canonical SMILES | [Li].O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C2HF6NO4S2.Li/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h9H; | CAS Common Chemistry |
| InChI Key | InChIKey=UGEOMRBXRFUYJH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 238.00 °C | CAS Common Chemistry |
| Name | Lithium bis(trifluoromethanesulfonyl)imide | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 80.31 Ų | RDKit |
| LogP | -0.10559999999999975 | RDKit |
| Molar Refractivity | 38.839299999999994 | RDKit |
