hexafluoro-λ5-phosphanuide; tetrabutylphosphanium

• ChemBase ID: 158113
• Molecular Formular: C16H36F6P2
• Molecular Mass: 404.3949812
• Monoisotopic Mass: 404.21964373
• SMILES: CCCC[P+](CCCC)(CCCC)CCCC.F[P-](F)(F)(F)(F)F
• Canonical SMILES: F[P-](F)(F)(F)(F)F.CCCC[P+](CCCC)(CCCC)CCCC
• InChI: InChI=1S/C16H36P.F6P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-7(2,3,4,5)6/h5-16H2,1-4H3;/q+1;-1
• InChIKey: QLQAFNAPINCKBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexafluoro-λ^5-phosphanuide; tetrabutylphosphanium
• IUPAC Traditional name: tetrabutylphosphonium hexafluorophosphate
• Synonyms: Tetrabutylphosphonium hexafluorophosphate; 四丁基六氟磷酸膦

Database IDs

• CAS Number: 111928-21-3
• MDL Number: MFCD01863114
• Beilstein Number: 5895425
• PubChem SID: 162252249; 24888832
• PubChem CID: 16218641

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.5721793
• LogD (pH = 7.4): 5.5721793
• Log P: 5.5721793
• Molar Refractivity: 83.0876 cm^3
• Polarizability: 33.34857 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: methanol: soluble0.1 g/mL, clear, colorless
• Melting Point: 226-228 °C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• 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: ≥99.0%; ≥99.0% (gravimetric)
• Grade: for electrochemical analysis
• Linear Formula: (CH3CH2CH2CH2)4P(PF6)

DETAILS

Sigma Aldrich - 86927

General description
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Other Notes
Novel organic electrolyte with high conductivity in high energy density electric double-layer capacitors (EDLC)1