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Molecule
Lithium Triflate
CAS: 33454-82-9 · CHF3LiO3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 33454-82-9
- Molecular Formula
- CHF3LiO3S
- Molecular Mass
- 157.02 g/mol
Identifiers
CAS Registry Number
33454-82-9
SMILES
O=S(=O)(O)C(F)(F)F.[Li]
InChI Key
WDGKXRCNMKPDSD-UHFFFAOYSA-N
InChI
InChI=1S/CHF3O3S.Li/c2-1(3,4)8(5,6)7;/h(H,5,6,7);
Names and Synonyms
- Lithium Triflate Common Name
- Methanesulfonic acid, 1,1,1-trifluoro-, lithium salt (1:1) Synonym
- Methanesulfonic acid, trifluoro-, lithium salt Synonym
- Lithium trifluoromethanesulfonate Synonym
- Lithium triflate Synonym
- Trifluoromethanesulfonic acid lithium salt Synonym
- Fluorad FC 122 Synonym
- Lithium trifluoromethanesulfonate (LiSO3CF3) Synonym
- PFM-Li Synonym
- Sankonol EAc 30T Synonym
- LiTFS Synonym
- Sankonol AQ 75T Synonym
- AQ 75T Synonym
- Sankonol AQ 50T Synonym
- Lithium trifluoromethylsulfonate Synonym
- EF 15 Synonym
- Sankonol AQ 20T Synonym
- Eftop EF 15 Synonym
- Lithium, (1,1,1-trifluoromethanesulfonato-κO)- Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 157.02 g/mol | CAS Common Chemistry |
| 157.01799999999997 g/mol | RDKit | |
| 157.018 g/mol | RDKit | |
| 158.019 g/mol | chempirical lib | |
| Density | 1.90 g/cm³ | CAS Common Chemistry |
| 1.9 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Lithium_triflate | CAS Common Chemistry |
| Canonical SMILES | [Li].O=S(=O)(O)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/CHF3O3S.Li/c2-1(3,4)8(5,6)7;/h(H,5,6,7); | CAS Common Chemistry |
| InChI Key | InChIKey=WDGKXRCNMKPDSD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Lithium trifluoromethanesulfonate | CAS Common Chemistry |
| Lithium triflate | CAS Common Chemistry | |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 54.370000000000005 Ų | RDKit |
| 54.37 Ų | RDKit | |
| LogP | 0.013200000000000156 | RDKit |
| 0.0132 | RDKit | |
| Molar Refractivity | 23.3576 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 156.975854102 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
External Resources
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MW = 157.02 g/mol; density = 1.900 g/mL. Edit any field — others recompute live.
