tetrabutylphosphanium oxidanide

• ChemBase ID: 146823
• Molecular Formular: C16H37OP
• Molecular Mass: 276.438141
• Monoisotopic Mass: 276.25820243
• SMILES: CCCC[P+](CCCC)(CCCC)CCCC.[OH-]
• Canonical SMILES: CCCC[P+](CCCC)(CCCC)CCCC.[OH-]
• InChI: InChI=1S/C16H36P.H2O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;/h5-16H2,1-4H3;1H2/q+1;/p-1
• InChIKey: DFQPZDGUFQJANM-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrabutylphosphanium oxidanide; tetrabutylphosphanium hydroxide
• IUPAC Traditional name: tetrabutylphosphonium oxidanide; tetrabutylphosphonium hydroxide
• Synonyms: TBPH; Tetrabutylphosphonium hydroxide solution; Tetra-n-butylphosphonium hydroxide; 四丁基氢氧化磷 溶液; 四正丁基氢氧化膦

Database IDs

• CAS Number: 14518-69-5
• EC Number: 238-528-0
• MDL Number: MFCD00068456
• Beilstein Number: 4826225
• PubChem SID: 24888834; 24867442; 162241015
• PubChem CID: 84487

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

• Apperance: Liquid
• Density: 0.989; 0.989 g/mL at 25 °C
• Refractive Index: 1.4120; n20/D 1.412

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3267; UN3267
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; II
• Risk Statements: 34; 35
• Safety Statements: 20-26-36/37/39-45-60; 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; 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 3267 8/PG 2

Product Information

• Purity: 40% w/w aq. soln.
• Concentration: ~40% in H2O (NT); 40 wt. % in H2O
• Grade: purum
• Impurities: ≤0.3% halides (as chloride)
• Linear Formula: (CH3CH2CH2CH2)4P(OH)

DETAILS

Sigma Aldrich - 438294

Packaging
100 mL in glass bottle