chlorogold; dicyclohexyl(2-phenylphenyl)phosphane

• ChemBase ID: 144563
• Molecular Formular: C24H31AuClP
• Molecular Mass: 582.896251
• Monoisotopic Mass: 582.1517583
• SMILES: c1ccc(cc1)c1ccccc1P(C1CCCCC1)C1CCCCC1.Cl[Au]
• Canonical SMILES: C1CCC(CC1)P(c1ccccc1c1ccccc1)C1CCCCC1.Cl[Au]
• InChI: InChI=1S/C24H31P.Au.ClH/c1-4-12-20(13-5-1)23-18-10-11-19-24(23)25(21-14-6-2-7-15-21)22-16-8-3-9-17-22;;/h1,4-5,10-13,18-19,21-22H,2-3,6-9,14-17H2;;1H/q;+1;/p-1
• InChIKey: XDZKBEGPIOIGLI-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorogold; dicyclohexyl(2-phenylphenyl)phosphane
• IUPAC Traditional name: dicyclohexyl(2-phenylphenyl)phosphane; gold chloride
• Synonyms: CyJohnPhos AuCl; Cyclohexyl JohnPhos AuCl; Chloro[2-(dicyclohexylphosphino)biphenyl]gold(I)

Database IDs

• CAS Number: 854045-92-4
• MDL Number: MFCD20527205
• PubChem SID: 162238775
• PubChem CID: 11478776

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.338831
• LogD (pH = 7.4): 6.54399
• Log P: 6.8128
• Molar Refractivity: 109.1339 cm^3
• Polarizability: 44.812023 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 241-244 °C

Safety Information

• German water hazard class: 3

Product Information

• Empirical Formula (Hill Notation): C24H31AuClP

DETAILS

Sigma Aldrich - 753335

Packaging
1 g in glass bottle
250 mg in glass bottle