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Potassium Perfluorobutanesulfonate
CAS: 29420-49-3 | C4HF9KO3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
29420-49-3
Molecular Formula:
C4HF9KO3S
Molecular Weight:
339.1959999999999 g/mol
Names and Synonyms:
Potassium Perfluorobutanesulfonate
Megaface F 114
1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-, potassium salt (1:1)
1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-, potassium salt
Potassium perfluorobutanesulfonate
Potassium nonaflate
Potassium nonafluorobutanesulfonate
Potassium perfluoro-1-butanesulfonate
F 114
Megafac F 114
Megafac F 114P
F 114P
Bayowet C 4
Perfluorobutanesulfonic acid potassium salt
Flutel RM 65
RM 65
Eftop KFBS
FR 2025
Megafac F 411
KFBS
Potassium nonafluoro-1-butanesulfonate
FR 2225
Biowet C 4
K-NONA
PPBS
Nanofluorobutanesulfonic acid potassium salt
Bayowet C 4TP-AC2001
Chemguard 411
FR 2050
Nonafluoro-1-butanesulfonate potassium salt
EF 42
Potassium perfluorobutylsulfonate
Megafac F 144P
Nonafluorobutanesulfonic acid potassium salt
PPFBS
IHT-FR 21
PFBSA
Poatssium perfluorobutanesulfonate
KPFBS
KPBS
FR 2015
Identifiers:
SMILES:
O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[K]
InChI:
InChI=1S/C4HF9O3S.K/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;/h(H,14,15,16);
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 339.20 g/mol | Legacy Database |
| cas-canonical-smile | [K].O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F None | Legacy Database |
| cas-inchi | InChI=1S/C4HF9O3S.K/c5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;/h(H,14,15,16); None | Legacy Database |
| cas-inchi-key | InChIKey=HNXDYNVXCUCKMS-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 450 °C (decomp) (approx) None | Legacy Database |
| cas-name | Potassium perfluorobutanesulfonate None | Legacy Database |
| LogP | 1.9191 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 339.1959999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 338.913975552 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 18 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 54.370000000000005 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 38.198600000000006 | RDKit |
