hexafluoro-λ5-phosphanuide; trihexyl(tetradecyl)phosphanium

• ChemBase ID: 134598
• Molecular Formular: C32H68F6P2
• Molecular Mass: 628.8202612
• Monoisotopic Mass: 628.47004476
• SMILES: CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.F[P-](F)(F)(F)(F)F
• Canonical SMILES: F[P-](F)(F)(F)(F)F.CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC
• InChI: InChI=1S/C32H68P.F6P/c1-5-9-13-17-18-19-20-21-22-23-24-28-32-33(29-25-14-10-6-2,30-26-15-11-7-3)31-27-16-12-8-4;1-7(2,3,4,5)6/h5-32H2,1-4H3;/q+1;-1
• InChIKey: WCKLETBLOAOZDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexafluoro-λ^5-phosphanuide; trihexyl(tetradecyl)phosphanium
• IUPAC Traditional name: trihexyl(tetradecyl)phosphanium hexafluorophosphate
• Synonyms: Tetradecyltrihexylphosphonium hexafluorophosphate; Trihexyltetradecylphosphonium hexafluorophosphate; 十四烷基三己基膦六氟磷酸盐; 三己十四烷化膦六氟磷酸盐酯

Database IDs

• CAS Number: 374683-44-0
• MDL Number: MFCD04117700
• PubChem SID: 162228874; 24865327
• PubChem CID: 16212610

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 12.685278
• LogD (pH = 7.4): 12.685278
• Log P: 12.685278
• Molar Refractivity: 156.7036 cm^3
• Polarizability: 62.90004 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 28
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3261
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: 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 3261 8/PG 2

Product Information

• Purity: ≥95.0% (31P-NMR)
• Linear Formula: [CH3(CH2)5]3P(PF6)(CH2)13CH3