tetraethylphosphanium; tetrafluoroboranuide

• ChemBase ID: 156085
• Molecular Formular: C8H20BF4P
• Molecular Mass: 234.0227738
• Monoisotopic Mass: 234.13318055
• SMILES: [B-](F)(F)(F)F.CC[P+](CC)(CC)CC
• Canonical SMILES: F[B-](F)(F)F.CC[P+](CC)(CC)CC
• InChI: InChI=1S/C8H20P.BF4/c1-5-9(6-2,7-3)8-4;2-1(3,4)5/h5-8H2,1-4H3;/q+1;-1
• InChIKey: IOQILLMTUOVXHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetraethylphosphanium; tetrafluoroboranuide
• IUPAC Traditional name: tetraethylphosphanium tetrafluoroborate
• Synonyms: Tetraethylphosphonium tetrafluoroborate; 四乙基膦四氟化硼

Database IDs

• CAS Number: 665-49-6
• MDL Number: MFCD01631314
• Beilstein Number: 3730026
• PubChem SID: 162250223; 24888738
• PubChem CID: 16218631

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

Physical Property

• Melting Point: 300-302 °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: ≥98.0%; ≥98.0% (T)
• Grade: Selectophore™
• Linear Formula: (CH3CH2)4P(BF4)

DETAILS

Sigma Aldrich - 87254

Other Notes
Novel organic electrolyte with high conductivity in high energy density electric double-layer capacitors (EDLC)1
Legal Information
Selectophore is a trademark of Sigma-Aldrich GmbH