[(diphenylphosphanyl)methyl]diphenylphosphane; bis(bromogold)

• ChemBase ID: 144562
• Molecular Formular: C25H22Au2Br2P2
• Molecular Mass: 938.130802
• Monoisotopic Mass: 935.88948396
• SMILES: c1ccc(cc1)P(CP(c1ccccc1)c1ccccc1)c1ccccc1.Br[Au].Br[Au]
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)CP(c1ccccc1)c1ccccc1.[Au]Br.[Au]Br
• InChI: InChI=1S/C25H22P2.2Au.2BrH/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;;;;/h1-20H,21H2;;;2*1H/q;2*+1;;/p-2
• InChIKey: JWNWUSHJESDUQV-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: [(diphenylphosphanyl)methyl]diphenylphosphane; bis(bromogold)
• IUPAC Traditional name: [(diphenylphosphanyl)methyl]diphenylphosphane; bis(bromogold)
• Synonyms: Bis(diphenylphosphino)methane bis(gold(I) bromide); [(Diphenylphosphino)methyl] (diphenyl)phosphine compound with bromogold (1:2); dppm(AuBr)2; Bis(bromogold(I)) bis(diphenylphosphino)methane

Database IDs

• CAS Number: 72476-68-7
• MDL Number: MFCD20527204
• PubChem SID: 162238774
• PubChem CID: 46872191

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.2909
• LogD (pH = 7.4): 7.2909
• Log P: 7.2909
• Molar Refractivity: 116.6195 cm^3
• Polarizability: 46.516495 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 275-278 °C

Safety Information

• German water hazard class: 3

Product Information

• Empirical Formula (Hill Notation): C25H22Au2Br2P2

DETAILS

Sigma Aldrich - 753319

Packaging
100, 500 mg in glass bottle