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Molecule
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
Identifiers
CAS Registry Number
90076-65-6
SMILES
O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.[Li]
InChI Key
UGEOMRBXRFUYJH-UHFFFAOYSA-N
InChI
InChI=1S/C2HF6NO4S2.Li/c3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;/h9H;
Names and Synonyms
- Lithium Bis(Trifluoromethanesulfonyl)Imide Common Name
- Methanesulfonamide, 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]-, lithium salt (1:1) Synonym
- Methanesulfonamide, 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]-, lithium salt Synonym
- Lithium bis(trifluoromethylsulfonyl)imide Synonym
- Lithium bis(trifluoromethanesulfonyl)imide Synonym
- Lithium bis(trifluoromethylsulfonyl)amide Synonym
- Fluorad HQ 115 Synonym
- Lithium triflimide Synonym
- Bis[(trifluoromethyl)sulfonyl]imide lithium salt Synonym
- HQ 115 Synonym
- LiTFSI Synonym
- Lithium bistriflamide Synonym
- 1,1,1-Trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide lithium salt Synonym
- Lithiotrifluoromethanesulfonimide Synonym
- Lithium bis(trifluoromethane)sulfonimide Synonym
- Lithium bis(perfluoromethylsulfonyl)imide Synonym
- Lithium bis(trifluoromethane sulfone)imide Synonym
- Fluorinert HQ 115 Synonym
- Fluorinert HQ 115J Synonym
- N,N-Bis[(trifluoromethyl)sulfonyl]amine lithium salt Synonym
- MEK 50R Synonym
- Lithium bis(trifluoromethanesulfonyl)amide Synonym
- Bis(trifluoromethane)sulfonimide lithium salt Synonym
- Sankonol EAc 20R Synonym
- LJ 603010 Synonym
- Lithium bis(trifluromethanesulfonyl)imide Synonym
- Lithium bis(trifluoromethylsulfonyl)imidate Synonym
- Lithium bis(trifluoromethanesulfonyl)imide(1-) Synonym
- Lithium bis(trifluoromethyl)sulfonylamine Synonym
- Lithium bis(trifluoromethylsulfonyl)imidate(1-) Synonym
- EF-N 115 Synonym
- Sankonol MEK 50R Synonym
- Lithium triflamide Synonym
- LiNTf2 Synonym
- Lithium bis(trifluoromethane)sulfonimidate Synonym
- Eftop EF-N 115 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 288.10 g/mol | CAS Common Chemistry |
| 288.0959999999999 g/mol | RDKit | |
| 288.096 g/mol | RDKit | |
| 289.09 g/mol | chempirical lib | |
| 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 |
| -0.1056 | RDKit | |
| Molar Refractivity | 38.839299999999994 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 287.94112338200006 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
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20
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 288.10 g/mol; density = 2.270 g/mL. Edit any field — others recompute live.
