hexafluoro-$l^{5}-phosphanuide; triethyloxidanium

• ChemBase ID: 100603
• Molecular Formular: C6H15F6OP
• Molecular Mass: 248.1468802
• Monoisotopic Mass: 248.07647105
• SMILES: [P-](F)(F)(F)(F)(F)F.[O+](CC)(CC)CC
• Canonical SMILES: F[P-](F)(F)(F)(F)F.CC[O+](CC)CC
• InChI: InChI=1S/C6H15O.F6P/c1-4-7(5-2)6-3;1-7(2,3,4,5)6/h4-6H2,1-3H3;/q+1;-1
• InChIKey: JRHIFBONIQGZFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexafluoro-$l^{5}-phosphanuide; triethyloxidanium; hexafluoro-λ^5-phosphanuide; triethyloxidanium
• IUPAC Traditional name: hexafluoro-$l^{5}-phosphanuide; triethyloxidanium; triethyloxidanium hexafluorophosphate
• Synonyms: Triethyloxonium hexafluorophosphate; Triethyloxonium hexafluorophosphate; 三乙基六氟磷氧

Database IDs

• CAS Number: 17950-40-2
• EC Number: 241-876-6
• MDL Number: MFCD00044222
• Beilstein Number: 4302183
• PubChem SID: 162087744; 24850095
• PubChem CID: 167684

CALCULATED PROPERTIES

• LogD (pH = 5.5): 0.589
• LogD (pH = 7.4): 0.589
• Log P: 0.589
• Polarizability: 14.022011 Å^3
• H Acceptors: 1
• H Donor: 0
• Molar Refractivity: 44.4508 cm^3
• Polar Surface Area: 13.59 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ~145 °C (dec.)(lit.)
• Flash Point: 134.6 °F; 135 °F; 57 °C

Safety Information

• Storage Warning: Corrosive/Moisture Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2925
• German water hazard class: 3
• Hazard Class: 4.1
• Packing Group: 2
• Risk Statements: 11-19-35; 35
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H228-H314
• GHS Precautionary statements: P210-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 2925 4.1/PG 2
• Supplemental Hazard Statements: May form explosive peroxides.
• Storage Temperature: -20°C

Product Information

• Purity: ≥95.0% (NMR)
• Grade: purum
• Contains: ~10% diethyl ether as stabilizer
• Linear Formula: (C2H5)3OPF6

DETAILS

Sigma Aldrich - 164682

Packaging
25 g in glass bottle
5 g in poly bottle
Application
Reactant or reagent involved in:
• Synthesis of ruthenium allenylidene complexes1
• Asymmetric Diels-Alder reactions2
• Chlorine scavenging3
• Synthesis of molecules for studies of wavelength tunability via cis-trans isomerization4
• Reactions with 2-mthylpyridine N-oxide5Catalyst activating agent for asymmetric imine aziridination via diazo ester activation6

Sigma Aldrich - 91651

Application
Reactant or reagent involved in:
• Synthesis of ruthenium allenylidene complexes1
• Asymmetric Diels-Alder reactions2
• Chlorine scavenging3
• Synthesis of molecules for studies of wavelength tunability via cis-trans isomerization4
• Reactions with 2-mthylpyridine N-oxide5Catalyst activating agent for asymmetric imine aziridination via diazo ester activation6