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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.

External Resources

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

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