tetrafluoroboranuide; trihexyl(tetradecyl)phosphanium

• ChemBase ID: 134599
• Molecular Formular: C32H68BF4P
• Molecular Mass: 570.6606938
• Monoisotopic Mass: 570.50878209
• SMILES: [B-](F)(F)(F)F.CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC
• Canonical SMILES: F[B-](F)(F)F.CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC
• InChI: InChI=1S/C32H68P.BF4/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;2-1(3,4)5/h5-32H2,1-4H3;/q+1;-1
• InChIKey: YHQJUXXKYKJFRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrafluoroboranuide; trihexyl(tetradecyl)phosphanium
• IUPAC Traditional name: trihexyl(tetradecyl)phosphanium tetrafluoroborate
• Synonyms: Tetradecyltrihexylphosphonium tetrafluoroborate; Trihexyltetradecylphosphonium tetrafluoroborate; 十四烷基三己基膦四氟硼酸盐; 三己基十四烷基膦四氟硼酸盐

Database IDs

• CAS Number: 374683-55-3
• MDL Number: MFCD04117701
• PubChem SID: 162228875; 24849790
• PubChem CID: 16211343

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

• Empirical Formula (Hill Notation): C32H68BF4P