bis(chlorogold); {1-[2-(diphenylphosphanyl)naphthalen-1-yl]naphthalen-2-yl}diphenylphosphane

• ChemBase ID: 140612
• Molecular Formular: C44H32Au2Cl2P2
• Molecular Mass: 1087.511502
• Monoisotopic Mass: 1086.06876564
• SMILES: c1ccc(cc1)P(c1ccccc1)c1ccc2ccccc2c1c1c2ccccc2ccc1P(c1ccccc1)c1ccccc1.Cl[Au].Cl[Au]
• Canonical SMILES: c1ccc(cc1)P(c1ccc2c(c1c1c(ccc3c1cccc3)P(c1ccccc1)c1ccccc1)cccc2)c1ccccc1.Cl[Au].Cl[Au]
• InChI: InChI=1S/C44H32P2.2Au.2ClH/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;;;;/h1-32H;;;2*1H/q;2*+1;;/p-2
• InChIKey: ALCLMPWXOJPBJG-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(chlorogold); {1-[2-(diphenylphosphanyl)naphthalen-1-yl]naphthalen-2-yl}diphenylphosphane
• IUPAC Traditional name: binap; bis(gold chloride)
• Synonyms: Dichloro(2,2′-bis(diphenylphosphino)-1,1′-binaphthalene)digold(I); Dichloro[(±)-BINAP]digold(I); 二氯(2,2′-双(二苯基膦)-1,1′-联二萘)二金(I); 二氯[(±)-BINAP]二金(I)

Database IDs

• CAS Number: 685138-48-1
• MDL Number: MFCD15144870
• PubChem SID: 162234854
• PubChem CID: 11975480

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 11.8554
• LogD (pH = 7.4): 11.8554
• Log P: 11.8554
• Molar Refractivity: 195.2244 cm^3
• Polarizability: 80.66715 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 335-350 °C

Safety Information

• German water hazard class: 2

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C44H32Au2Cl2P2

DETAILS

Sigma Aldrich - 717479

Packaging
250 mg in glass bottle
Application
Gold Catalysts - 21st Century ′Gold Rush′
Catalyst for selective diboration of alkenes via base-assisted heterolytic cleavage