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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
Names and Synonyms:
Lithium Triflate
Methanesulfonic acid, 1,1,1-trifluoro-, lithium salt (1:1)
Methanesulfonic acid, trifluoro-, lithium salt
Lithium trifluoromethanesulfonate
Lithium triflate
Trifluoromethanesulfonic acid lithium salt
Fluorad FC 122
Lithium trifluoromethanesulfonate (LiSO3CF3)
PFM-Li
Sankonol EAc 30T
LiTFS
Sankonol AQ 75T
AQ 75T
Sankonol AQ 50T
Lithium trifluoromethylsulfonate
EF 15
Sankonol AQ 20T
Eftop EF 15
Lithium, (1,1,1-trifluoromethanesulfonato-κO)-
Identifiers:
SMILES:
O=S(=O)(O)C(F)(F)F.[Li]
InChI:
InChI=1S/CHF3O3S.Li/c2-1(3,4)8(5,6)7;/h(H,5,6,7);
Key Properties
Density
1.90 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 | 157.02 g/mol | CAS Common Chemistry |
| 157.01799999999997 g/mol | RDKit | |
| 156.975854102 g/mol | RDKit | |
| 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 |
| LogP | 0.013200000000000156 | RDKit |
| Molar Refractivity | 23.3576 | RDKit |
