triphenyl[2-(triphenylphosphaniumyl)ethyl]phosphanium dibromide

• ChemBase ID: 288427
• Molecular Formular: C38H34Br2P2
• Molecular Mass: 712.432082
• Monoisotopic Mass: 710.05024835
• SMILES: c1([P+](CC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)ccccc1.[Br-].[Br-]
• Canonical SMILES: c1ccc(cc1)[P+](c1ccccc1)(c1ccccc1)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].[Br-]
• InChI: InChI=1S/C38H34P2.2BrH/c1-7-19-33(20-8-1)39(34-21-9-2-10-22-34,35-23-11-3-12-24-35)31-32-40(36-25-13-4-14-26-36,37-27-15-5-16-28-37)38-29-17-6-18-30-38;;/h1-30H,31-32H2;2*1H/q+2;;/p-2
• InChIKey: VRKRIHCAYUNAPF-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: triphenyl[2-(triphenylphosphaniumyl)ethyl]phosphanium dibromide
• IUPAC Traditional name: triphenyl[2-(triphenylphosphaniumyl)ethyl]phosphanium dibromide
• Synonyms: Ethane-1,2-diylbis(triphenylphosphonium) bromide; Ethylenebis(triphenylphosphonium bromide); 亚乙基双( 三苯基溴化磷鎓)

Database IDs

• CAS Number: 1519-45-5
• EC Number: 216-182-1
• MDL Number: MFCD00031712
• Beilstein Number: 3901315
• PubChem SID: 180673958
• PubChem CID: 2785215

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.772242
• LogD (pH = 7.4): 8.772242
• Log P: 8.772242
• Molar Refractivity: 172.7814 cm^3
• Polarizability: 68.120094 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 317-320°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: 95+%; 98+%