triphenyl[5-(triphenylphosphaniumyl)pentyl]phosphanium dibromide

• ChemBase ID: 301878
• Molecular Formular: C41H40Br2P2
• Molecular Mass: 754.511822
• Monoisotopic Mass: 752.09719854
• SMILES: c1ccc(cc1)[P+](CCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].[Br-]
• Canonical SMILES: C(CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].[Br-]
• InChI: InChI=1S/C41H40P2.2BrH/c1-8-22-36(23-9-1)42(37-24-10-2-11-25-37,38-26-12-3-13-27-38)34-20-7-21-35-43(39-28-14-4-15-29-39,40-30-16-5-17-31-40)41-32-18-6-19-33-41;;/h1-6,8-19,22-33H,7,20-21,34-35H2;2*1H/q+2;;/p-2
• InChIKey: XIZMFZWZYVQIOX-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: triphenyl[5-(triphenylphosphaniumyl)pentyl]phosphanium dibromide
• IUPAC Traditional name: triphenyl[5-(triphenylphosphaniumyl)pentyl]phosphanium dibromide
• Synonyms: 1,5-Bis(triphenylphosphonio)pentane dibromide; Pentamethylenebis(triphenylphosphonium bromide); 五亚甲基双(三苯基溴化膦)

Database IDs

• CAS Number: 22884-31-7
• EC Number: 245-292-2
• MDL Number: MFCD00051887
• Beilstein Number: 3875042

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 10.105948
• LogD (pH = 7.4): 10.105948
• Log P: 10.105948
• Molar Refractivity: 186.5844 cm^3
• Polarizability: 73.662025 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 253-260°C

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98+%