potassium nonafluorobutane-1-sulfonate

• ChemBase ID: 12120
• Molecular Formular: C4F9KO3S
• Molecular Mass: 338.1899288
• Monoisotopic Mass: 337.90615052
• SMILES: C(C(C(C(F)(F)F)(F)F)(F)F)(S(=O)(=O)[O-])(F)F.[K+]
• Canonical SMILES: FC(C(C(S(=O)(=O)[O-])(F)F)(F)F)(C(F)(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);/q;+1/p-1
• InChIKey: LVTHXRLARFLXNR-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium nonafluorobutane-1-sulfonate
• IUPAC Traditional name: potassium nonafluorobutane-1-sulfonate; potassium ion nonafluorobutane-1-sulfonate
• Synonyms: Potassium nonafluorobutanesulfonate; Nonafluoro-1-butanesulfonic acid potassium salt; Potassium nonaflate; Potassium nonafluoro-1-butanesulfonate; Potassium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate; Perfluorobutanesulphonic acid potassium salt; Potassium nonafluorobutanesulphonate 98%; 九氟-1-丁烷磺酸 钾盐; 九氟丁磺酸钾; 全氟丁基磺酸钾

Database IDs

• CAS Number: 29420-49-3
• EC Number: 249-616-3
• MDL Number: MFCD00007515
• Beilstein Number: 5200982
• PubChem SID: 24881877; 160975427; 24857708
• PubChem CID: 23675274

CALCULATED PROPERTIES

• Acid pKa: -3.314291
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.2508584
• LogD (pH = 7.4): 0.25085825
• Log P: 2.627257
• Molar Refractivity: 31.1852 cm^3
• Polarizability: 13.165969 Å^3
• Polar Surface Area: 57.2 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >300 °C(lit.); 300°C(dec); 300(dec.)°C
• Flash Point: none°C
• Density: 0.69

Safety Information

• Storage Warning: Corrosive; IRRITANT
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• TSCA Listed: false
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥97.0% (T); 98%
• Grade: purum
• Description: anionic
• Linear Formula: CF3(CF2)3SO3K

DETAILS

Apollo Scientific Ltd - PC3874

Additive for polymers. Soluble in water, acetone, methanol & ethyl acetate

Sigma Aldrich - 294209

Packaging
10 g in glass bottle

Sigma Aldrich - 60418

Other Notes
Reagent for the in situ preparation of trimethylsilyl nonaflate which is a highly reactive silylating agent1