(rhodiomethylidyne)oxidanium tris(triphenylphosphane) hydride

• ChemBase ID: 302707
• Molecular Formular: C55H45OP3Rh+
• Molecular Mass: 917.771983
• Monoisotopic Mass: 917.17382995
• SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[O+]#C[Rh]
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[Rh]C#[O+]
• InChI: InChI=1S/3C18H15P.CO.Rh/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;/h3*1-15H;;/q;;;+1
• InChIKey: YDLYYDHRSWKMNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (rhodiomethylidyne)oxidanium tris(triphenylphosphane) hydride
• IUPAC Traditional name: (rhodiomethylidyne)oxidanium tris(triphenylphosphine) hydride
• Synonyms: Tris(triphenylphosphine)rhodium carbonyl hydride; Carbonyltris(triphenylphosphine)rhodium(I) hydride; Carbonylhydridotris(triphenylphosphine)rhodium(I); 羰酰二氢三(三苯基膦)铑(I)

Database IDs

• CAS Number: 17185-29-4
• EC Number: 241-230-3
• MDL Number: MFCD00151644
• Merck Index: 149758

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.1066
• LogD (pH = 7.4): 5.1066
• Log P: 5.1066
• Molar Refractivity: 81.6229 cm^3
• Polarizability: 32.34495 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Soluble in hydrocarbons (e.g. benzene and toluene) with dissociation of phosphine ligands
• Apperance: Powder
• Melting Point: 138°C dec
• Density: 1.33

Safety Information

• Storage Warning: Moisture Sensitive
• Risk Statements: 53
• Safety Statements: 60-61
• TSCA Listed: 是
• GHS Hazard statements: H413
• GHS Precautionary statements: P273-P501A

Product Information

• Purity: Rh 10.0% min