tetrakis(triphenylphosphaniumyl)rhodiumtriuide hydride

• ChemBase ID: 303749
• Molecular Formular: C72H60P4Rh+
• Molecular Mass: 1152.047344
• Monoisotopic Mass: 1151.27005244
• SMILES: c1ccc(cc1)[P+](c1ccccc1)(c1ccccc1)[Rh-3]([P+](c1ccccc1)(c1ccccc1)c1ccccc1)([P+](c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)[P+]([Rh-3]([P+](c1ccccc1)(c1ccccc1)c1ccccc1)([P+](c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/4C18H15P.Rh/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h4*1-15H;/q;;;;+1
• InChIKey: NTHJCNBPDWQZHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrakis(triphenylphosphaniumyl)rhodiumtriuide hydride
• IUPAC Traditional name: tetrakis(triphenylphosphaniumyl)rhodiumtriuide hydride
• Synonyms: Hydridotetrakis(triphenylphosphine)rhodium(I); 四(三苯基膦)氢化铑(I)

Database IDs

• CAS Number: 18284-36-1
• MDL Number: MFCD00015867

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 20.4264
• LogD (pH = 7.4): 20.4264
• Log P: 20.4264
• Molar Refractivity: 326.4916 cm^3
• Polarizability: 132.90675 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Soluble in chloroform, toluene
• Apperance: Powder
• Melting Point: 145-147°C dec.

Safety Information

• Storage Warning: Air Sensitive
• 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: Rh 8.9% min