hexafluoro-λ5-phosphanuide; tetraethylphosphanium

• ChemBase ID: 156839
• Molecular Formular: C8H20F6P2
• Molecular Mass: 292.1823412
• Monoisotopic Mass: 292.09444322
• SMILES: CC[P+](CC)(CC)CC.F[P-](F)(F)(F)(F)F
• Canonical SMILES: F[P-](F)(F)(F)(F)F.CC[P+](CC)(CC)CC
• InChI: InChI=1S/C8H20P.F6P/c1-5-9(6-2,7-3)8-4;1-7(2,3,4,5)6/h5-8H2,1-4H3;/q+1;-1
• InChIKey: WJZBUQKNTCKXAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexafluoro-λ^5-phosphanuide; tetraethylphosphanium
• IUPAC Traditional name: tetraethylphosphanium hexafluorophosphate
• Synonyms: Tetraethylphosphonium hexafluorophosphate; 四乙基磷鎓六氟磷酸盐

Database IDs

• CAS Number: 111928-07-5
• MDL Number: MFCD01631313
• PubChem SID: 24888737; 162250976
• PubChem CID: 2760564

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.7038152
• LogD (pH = 7.4): 1.7038152
• Log P: 1.7038152
• Molar Refractivity: 46.5876 cm^3
• Polarizability: 18.574238 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• 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: ≥98.0% (gravimetric)
• Linear Formula: (CH3CH2)4P(PF6)

DETAILS

Sigma Aldrich - 87253

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