[2-(diphenylphosphanyl)ethyl]diphenylphosphane (acetyloxy)cuprio acetate

• ChemBase ID: 143367
• Molecular Formular: C30H30CuO4P2
• Molecular Mass: 580.050322
• Monoisotopic Mass: 579.0915302
• SMILES: CC(=O)O[Cu]OC(=O)C.c1ccc(cc1)P(CCP(c1ccccc1)c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)CCP(c1ccccc1)c1ccccc1.CC(=O)O[Cu]OC(=O)C
• InChI: InChI=1S/C26H24P2.2C2H4O2.Cu/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;2*1-2(3)4;/h1-20H,21-22H2;2*1H3,(H,3,4);/q;;;+2/p-2
• InChIKey: RPIBQESUBINVPB-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(diphenylphosphanyl)ethyl]diphenylphosphane (acetyloxy)cuprio acetate
• IUPAC Traditional name: diphos cupric acetate
• Synonyms: Copper(II) acetate 1,2-bis(diphenylphosphino)ethane

Database IDs

• MDL Number: MFCD18643356
• PubChem SID: 162237587
• PubChem CID: 71310940

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.8128
• LogD (pH = 7.4): 6.8128
• Log P: 6.8128
• Molar Refractivity: 121.8328 cm^3
• Polarizability: 48.36459 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 120-125 °C

Safety Information

• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36/37/38-50/53
• Safety Statements: 26-61
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335-H400
• GHS Precautionary statements: P261-P273-P305 + P351 + P338

Product Information

• Empirical Formula (Hill Notation): C30H30CuO4P2

DETAILS

Sigma Aldrich - 733245

General description
May contain up to 5% Tetrahydrofuran
Packaging
1, 5 g in glass bottle