tetrabutylphosphanium chloride

• ChemBase ID: 147394
• Molecular Formular: C16H36ClP
• Molecular Mass: 294.883801
• Monoisotopic Mass: 294.22431546
• SMILES: CCCC[P+](CCCC)(CCCC)CCCC.[Cl-]
• Canonical SMILES: CCCC[P+](CCCC)(CCCC)CCCC.[Cl-]
• InChI: InChI=1S/C16H36P.ClH/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H/q+1;/p-1
• InChIKey: IBWGNZVCJVLSHB-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrabutylphosphanium chloride
• IUPAC Traditional name: tetrabutylphosphonium chloride
• Synonyms: Tetrabutylphosphonium chloride; Tetrabutylphosphonium chloride; 四丁基氯化膦

Database IDs

• CAS Number: 2304-30-5
• EC Number: 218-964-8
• MDL Number: MFCD00011854
• Beilstein Number: 4019186
• PubChem SID: 24848685; 162241582
• PubChem CID: 75311

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.5721793
• LogD (pH = 7.4): 5.5721793
• Log P: 5.5721793
• Molar Refractivity: 83.0876 cm^3
• Polarizability: 33.34857 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 62-66 °C (dec.)(lit.)

Safety Information

• RTECS: TA2419000
• European Hazard Symbols: Toxic (T)
• UN Number: 2928
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 22-24-34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H310-H314-H330
• GHS Precautionary statements: P260-P280-P284-P302 + P350-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 2928 6.1/PG 2

Product Information

• Purity: ≥97.0% (AT); 95+%; 96%
• Grade: purum
• Impurities: ≤1.0% water
• Linear Formula: (CH3CH2CH2CH2)4P(Cl)

DETAILS

Sigma Aldrich - 144800

Packaging
10 g in glass bottle

Sigma Aldrich - 86919

Other Notes
One of the most efficient phase-transfer catalyst1; Forms a room-temperature molten salt with AlCl32