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Molecule
Potassium Perfluorobutanesulfonate
CAS: 29420-49-3 · C4HF9KO3S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 29420-49-3
- Molecular Formula
- C4HF9KO3S
- Molecular Mass
- 339.20 g/mol
Identifiers
CAS Registry Number
29420-49-3
SMILES
O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[K]
InChI Key
HNXDYNVXCUCKMS-UHFFFAOYSA-N
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);
Names and Synonyms
- Potassium Perfluorobutanesulfonate Synonym
- Megaface F 114 Synonym
- 1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-, potassium salt (1:1) Synonym
- 1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-, potassium salt Synonym
- Potassium perfluorobutanesulfonate Synonym
- Potassium nonaflate Synonym
- Potassium nonafluorobutanesulfonate Synonym
- Potassium perfluoro-1-butanesulfonate Synonym
- F 114 Synonym
- Megafac F 114 Synonym
- Megafac F 114P Synonym
- F 114P Synonym
- Bayowet C 4 Synonym
- Perfluorobutanesulfonic acid potassium salt Synonym
- Flutel RM 65 Synonym
- RM 65 Synonym
- Eftop KFBS Synonym
- FR 2025 Synonym
- Megafac F 411 Synonym
- KFBS Synonym
- Potassium nonafluoro-1-butanesulfonate Synonym
- FR 2225 Synonym
- Biowet C 4 Synonym
- K-NONA Synonym
- PPBS Synonym
- Nanofluorobutanesulfonic acid potassium salt Synonym
- Bayowet C 4TP-AC2001 Synonym
- Chemguard 411 Synonym
- FR 2050 Synonym
- Nonafluoro-1-butanesulfonate potassium salt Synonym
- EF 42 Synonym
- Potassium perfluorobutylsulfonate Synonym
- Megafac F 144P Synonym
- Nonafluorobutanesulfonic acid potassium salt Synonym
- PPFBS Synonym
- IHT-FR 21 Synonym
- PFBSA Synonym
- Poatssium perfluorobutanesulfonate Synonym
- KPFBS Synonym
- KPBS Synonym
- FR 2015 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 339.20 g/mol | CAS Common Chemistry |
| 339.1959999999999 g/mol | RDKit | |
| 339.196 g/mol | RDKit | |
| 340.197 g/mol | chempirical lib | |
| Canonical SMILES | [K].O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F | CAS Common Chemistry |
| 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); | CAS Common Chemistry |
| InChI Key | InChIKey=HNXDYNVXCUCKMS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 450 °C (decomp) (approx) | CAS Common Chemistry |
| Name | Potassium perfluorobutanesulfonate | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 54.370000000000005 Ų | RDKit |
| 54.37 Ų | RDKit | |
| LogP | 1.9191 | RDKit |
| Molar Refractivity | 38.198600000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 338.913975552 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 |
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200 ppm
180
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40
20
0 ppm
| 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.
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MW = 339.20 g/mol. Edit any field — others recompute live.
