tributyl(hexyl)phosphanium bromide

• ChemBase ID: 138396
• Molecular Formular: C18H40BrP
• Molecular Mass: 367.387961
• Monoisotopic Mass: 366.20509991
• SMILES: CCCCCC[P+](CCCC)(CCCC)CCCC.[Br-]
• Canonical SMILES: CCCCCC[P+](CCCC)(CCCC)CCCC.[Br-]
• InChI: InChI=1S/C18H40P.BrH/c1-5-9-13-14-18-19(15-10-6-2,16-11-7-3)17-12-8-4;/h5-18H2,1-4H3;1H/q+1;/p-1
• InChIKey: ZBZFETNHIRABGK-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tributyl(hexyl)phosphanium bromide
• IUPAC Traditional name: tributyl(hexyl)phosphanium bromide
• Synonyms: Hexyltributylphosphonium bromide, polymer-bound; Hexyltributylphosphonium bromide, polymer-supported; 聚合物键合型己基三丁基溴化膦; 聚合物负载己基三丁基溴化膦

Database IDs

• MDL Number: MFCD00134170
• PubChem SID: 162232652; 24862069
• PubChem CID: 22712793

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.4613166
• LogD (pH = 7.4): 6.4613166
• Log P: 6.4613166
• Molar Refractivity: 92.2896 cm^3
• Polarizability: 37.042404 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338

Product Information

• Particle Size: 200-400 mesh
• Extent of Labeling: ~0.5 mmol/g loading
• Crosslinking: 2 % cross-linked with divinylbenzene
• Linear Formula: (CH3)(CH2)5P(C4H9)3Br

DETAILS

Sigma Aldrich - 359335

Application
Very efficient phase-transfer catalyst.1