potassium trifluoromethanesulfonate

• ChemBase ID: 98921
• Molecular Formular: CF3KO3S
• Molecular Mass: 188.1674096
• Monoisotopic Mass: 187.9157312
• SMILES: [K+].S(=O)(=O)([O-])C(F)(F)F
• Canonical SMILES: FC(S(=O)(=O)[O-])(F)F.[K+]
• InChI: InChI=1S/CHF3O3S.K/c2-1(3,4)8(5,6)7;/h(H,5,6,7);/q;+1/p-1
• InChIKey: GLGXXYFYZWQGEL-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium trifluoromethanesulfonate
• IUPAC Traditional name: potassium ion triflate; potassium triflate
• Synonyms: Potassium triflate; Potassium trifluoromethanesulphonate 99%; Trifluoromethanesulfonic acid potassium salt; Potassium trifluoromethanesulfonate; 三氟甲磺酸 钾盐; 三氟甲磺酸钾; 三氟甲烷磺酸钾

Database IDs

• CAS Number: 2926-27-4
• MDL Number: MFCD00042370
• Beilstein Number: 3727495
• PubChem SID: 162085247; 24866458
• PubChem CID: 23664779

CALCULATED PROPERTIES

• Acid pKa: -3.4301212
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.2283616
• LogD (pH = 7.4): -1.2283617
• Log P: 1.1480371
• Molar Refractivity: 15.8602 cm^3
• Polarizability: 7.460577 Å^3
• Polar Surface Area: 57.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline
• Melting Point: 236°C

Safety Information

• Storage Warning: Hygroscopic; Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (K); 98%
• Grade: purum
• Linear Formula: CF3SO3K

DETAILS

Sigma Aldrich - 422843

Packaging
5, 25 g in glass bottle
Application
Used in studies of mixed alkali effects and short range interactions in poly(ethylene oxide) electrolytes,1 and characteristics of the electrochemical behavior of glassy carbon in super-acid media.2