(rhodiomethylidyne)oxidanium bis(triphenylphosphane) bromide

• ChemBase ID: 303552
• Molecular Formular: C37H30BrOP2Rh
• Molecular Mass: 735.390522
• Monoisotopic Mass: 734.00102984
• SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[Rh]C#[O+].[Br-]
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[Rh]C#[O+].[Br-]
• InChI: InChI=1S/2C18H15P.CO.BrH.Rh/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2;;/h2*1-15H;;1H;/q;;+1;;/p-1
• InChIKey: OPPSSDPJZFAHPK-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (rhodiomethylidyne)oxidanium bis(triphenylphosphane) bromide
• IUPAC Traditional name: (rhodiomethylidyne)oxidanium bis(triphenylphosphine) bromide
• Synonyms: Bromocarbonylbistriphenylphosphinerhodium(I); Carbonylbromobis(triphenylphosphine)rhodium(I), Premion®; 羰基溴双(三苯基膦)铑(I),Premion®

Database IDs

• CAS Number: 14056-79-2
• EC Number: 237-897-5
• MDL Number: MFCD00064608

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: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Soluble in chloroform
• Apperance: Powder

Safety Information

• 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: 99.95% (metals basis), Rh 13.5% min