[3-(diphenylphosphanyl)propyl]diphenylphosphane; bis(chlorogold)

• ChemBase ID: 143503
• Molecular Formular: C27H26Au2Cl2P2
• Molecular Mass: 877.281962
• Monoisotopic Mass: 876.02181545
• SMILES: c1ccc(cc1)P(CCCP(c1ccccc1)c1ccccc1)c1ccccc1.Cl[Au].Cl[Au]
• Canonical SMILES: C(CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1.[Au]Cl.[Au]Cl
• InChI: InChI=1S/C27H26P2.2Au.2ClH/c1-5-14-24(15-6-1)28(25-16-7-2-8-17-25)22-13-23-29(26-18-9-3-10-19-26)27-20-11-4-12-21-27;;;;/h1-12,14-21H,13,22-23H2;;;2*1H/q;2*+1;;/p-2
• InChIKey: MMQGWXOIOXYBFK-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(diphenylphosphanyl)propyl]diphenylphosphane; bis(chlorogold)
• IUPAC Traditional name: [3-(diphenylphosphanyl)propyl]diphenylphosphane; bis(gold chloride)
• Synonyms: Dichloro(1,3-bis(diphenylphosphino)propane)digold; Dichloro(DPPP)digold(I); Dichloro[μ-[1,1′-(1,3-propanediyl)bis[1,1-diphenylphosphine-κP]]]digold; Bis(chlorogold(I)) 1,3-bis(diphenylphosphino)propane

Database IDs

• CAS Number: 72428-60-5
• MDL Number: MFCD18252679
• PubChem SID: 162237722
• PubChem CID: 12624730

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.1541
• LogD (pH = 7.4): 7.1541
• Log P: 7.1541
• Molar Refractivity: 126.3902 cm^3
• Polarizability: 50.2117 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 252-261 °C

Safety Information

• German water hazard class: 3

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C27H26Au2Cl2P2

DETAILS

Sigma Aldrich - 734160

Packaging
1 g in glass bottle
250 mg in glass bottle
Application
Gold Catalysts - 21st Century ′Gold Rush′