trihexyl(tetradecyl)phosphanium chloride

• ChemBase ID: 141869
• Molecular Formular: C32H68ClP
• Molecular Mass: 519.309081
• Monoisotopic Mass: 518.47471649
• SMILES: CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.[Cl-]
• Canonical SMILES: CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.[Cl-]
• InChI: InChI=1S/C32H68P.ClH/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;/h5-32H2,1-4H3;1H/q+1;/p-1
• InChIKey: JCQGIZYNVAZYOH-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: trihexyl(tetradecyl)phosphanium chloride
• IUPAC Traditional name: trihexyl(tetradecyl)phosphanium chloride
• Synonyms: Trihexyltetradecylphosphonium chloride; Tetradecyltrihexylphosphonium chloride; 三己基十四烷基氯化膦; 十四烷基三己基氯化膦

Database IDs

• CAS Number: 258864-54-9
• MDL Number: MFCD04112746
• PubChem SID: 162236102; 24889260
• PubChem CID: 11375816

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

Physical Property

• Flash Point: 118 °C; 244.4 °F
• Density: 0.895 g/mL at 20 °C(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 1760
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1760 8/PG 2

Product Information

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

DETAILS

Sigma Aldrich - 89744

Packaging
5, 50 g in poly bottle