tris(triphenyl-λ5-phosphanyl)rhodiumylium chloride

• ChemBase ID: 179298
• Molecular Formular: C54H45ClP3Rh
• Molecular Mass: 925.214883
• Monoisotopic Mass: 924.14776801
• SMILES: P([Rh+](P(c1ccccc1)(c1ccccc1)c1ccccc1)P(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
• Canonical SMILES: c1ccc(cc1)P([Rh+](P(c1ccccc1)(c1ccccc1)c1ccccc1)P(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
• InChI: InChI=1S/3C18H15P.ClH.Rh/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h3*1-15H;1H;/q;;;;-2/p+2
• InChIKey: UTODFRQBVUVYOB-UHFFFAOYSA-P

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(triphenyl-λ^5-phosphanyl)rhodiumylium chloride
• IUPAC Traditional name: tris(triphenyl-λ^5-phosphanyl)rhodiumylium chloride
• Synonyms: Chlorotris(triphenylphosphine)rhodium; Chlorotris(triphenylphosphine)rhodium(I); NSC 124140; Rhodium tris(triphenylphosphine) chloride; Tris(triphenylphosphine)chlororhodium; Tris(triphenylphosphine)chlororhodium(I); Tris(triphenylphosphine)rhodium(I) Chloride; Wilkinson's Catalyst; Wilkinson's Complex; Tris(triphenylphosphine)rhodium(I) Chloride

Database IDs

• CAS Number: 14694-95-2
• PubChem SID: 164235208
• PubChem CID: 71752856

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 14.3418
• LogD (pH = 7.4): 14.3418
• Log P: 14.3418
• Molar Refractivity: 247.2687 cm^3
• Polarizability: 102.005936 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: Dark Red Solid

Safety Information

• Storage Condition: Refrigerator, Under Inert Atmosphere

DETAILS

Toronto Research Chemicals - T886465

Tris(triphenylphosphine)rhodium Chloride is also known as Wilkinson's catalyst and is commonly used to catalyze the hydrogenation of alkenes. Tris(triphenylphosphine)rhodium(I) Chloride is also used in the catalytic hydroboration of alkenes with catecholb

REFERENCES

• Evans, D.A. et al.: J. Am. Chem. Soc., 110, 6917 (1988)
• Ojima, I. et al.: Tetrahedron Lett., 13, 5035 (1988)
• Birch, A.J. et al.: Org. React., 24 (1988)