hexafluoro-λ5-phosphanuide; tetrahexylazanium

• ChemBase ID: 152151
• Molecular Formular: C24H52F6NP
• Molecular Mass: 499.6405602
• Monoisotopic Mass: 499.37415662
• SMILES: CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.F[P-](F)(F)(F)(F)F
• Canonical SMILES: F[P-](F)(F)(F)(F)F.CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC
• InChI: InChI=1S/C24H52N.F6P/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4;1-7(2,3,4,5)6/h5-24H2,1-4H3;/q+1;-1
• InChIKey: KWQQUBRLECVPFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexafluoro-λ^5-phosphanuide; tetrahexylazanium
• IUPAC Traditional name: tetrahexylazanium hexafluorophosphate
• Synonyms: Tetrahexylammonium hexafluorophosphate; 四己基六氟磷酸铵

Database IDs

• CAS Number: 109241-90-9
• MDL Number: MFCD00674550
• PubChem SID: 162246296; 24888884
• PubChem CID: 16218646

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.879978
• LogD (pH = 7.4): 4.879978
• Log P: 4.879978
• Molar Refractivity: 128.2041 cm^3
• Polarizability: 46.510445 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 20
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 135-138 °C

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: ≥97.0% (gravimetric)
• Impurities: ≤0.05% halides (as bromide)
• Linear Formula: [CH3(CH2)4CH2]4N(PF6)

DETAILS

Sigma Aldrich - 87308

Packaging
5 g in poly bottle