hexafluoro-λ5-phosphanuide; tetraethylazanium

• ChemBase ID: 149257
• Molecular Formular: C8H20F6NP
• Molecular Mass: 275.2152802
• Monoisotopic Mass: 275.1237556
• SMILES: CC[N+](CC)(CC)CC.F[P-](F)(F)(F)(F)F
• Canonical SMILES: F[P-](F)(F)(F)(F)F.CC[N+](CC)(CC)CC
• InChI: InChI=1S/C8H20N.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: KLKUOIXSIDDDCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexafluoro-λ^5-phosphanuide; tetraethylazanium
• IUPAC Traditional name: tetraethylammonium hexafluorophosphate
• Synonyms: Tetraethylammonium hexafluorophosphate; 四乙基六氟磷酸铵

Database IDs

• CAS Number: 429-07-2
• EC Number: 207-056-7
• MDL Number: MFCD00043179
• Beilstein Number: 3748868
• PubChem SID: 24867174; 24888712; 162243425; 24888710
• PubChem CID: 9885

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -2.5449352
• LogD (pH = 7.4): -2.5449352
• Log P: -2.5449352
• Molar Refractivity: 54.8961 cm^3
• Polarizability: 16.958946 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: acetonitrile: soluble0.1 g/mL, clear, colorless
• Apperance: Crystalline
• Melting Point: ≥300 °C(lit.)

Safety Information

• Storage Warning: Hygroscopic
• RTECS: BS6500000
• European Hazard Symbols: X; Irritant (Xi)
• UN Number: UN2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/22-36/37/38; 36/37/38
• Safety Statements: 26-36; 9-26-36
• TSCA Listed: 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H331-H302-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% (T); ≥99.0%; ≥99.0% (T); 98%; 99%
• Grade: for electrochemical analysis; purum
• Linear Formula: (C2H5)4N(PF6)

DETAILS

Sigma Aldrich - 434116

Application
Employed extensively in electrolytes for electrochemical synthesis. Recent examples include one-pot electrochemical generation of a porphyrin dimer1 and reduction of esters in aprotic solvents.2
Packaging
25 g in poly bottle

Sigma Aldrich - 86625

Application
Supporting electrolyte
General description
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