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Potassium Trifluoromethanesulfonate
CAS: 2926-27-4 | CHF3KO3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2926-27-4
Molecular Formula:
CHF3KO3S
Molecular Mass:
189.18 g/mol
Names and Synonyms:
Potassium Trifluoromethanesulfonate
Methanesulfonic acid, 1,1,1-trifluoro-, potassium salt (1:1)
Methanesulfonic acid, trifluoro-, potassium salt
Potassium trifluoromethanesulfonate
Potassium trifluoromethylsulfonate
Potassium triflate
Trifluoromethanesulfonic acid potassium salt
Eftop EF 12
EF 12
Identifiers:
SMILES:
O=S(=O)(O)C(F)(F)F.[K]
InChI:
InChI=1S/CHF3O3S.K/c2-1(3,4)8(5,6)7;/h(H,5,6,7);
Key Properties
Melting Point
230 °C
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 | 189.18 g/mol | CAS Common Chemistry |
| 189.17499999999995 g/mol | RDKit | |
| 188.923556232 g/mol | RDKit | |
| Canonical SMILES | [K].O=S(=O)(O)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/CHF3O3S.K/c2-1(3,4)8(5,6)7;/h(H,5,6,7); | CAS Common Chemistry |
| InChI Key | InChIKey=AZLIIAMTCHKNJJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 230 °C | CAS Common Chemistry |
| Name | Potassium trifluoromethanesulfonate | 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 |
