(acetyloxy)triphenylbismuthanyl acetate

• ChemBase ID: 151325
• Molecular Formular: C22H21BiO4
• Molecular Mass: 558.38014
• Monoisotopic Mass: 558.12438215
• SMILES: CC(=O)O[Bi](c1ccccc1)(c1ccccc1)(c1ccccc1)OC(=O)C
• Canonical SMILES: CC(=O)O[Bi](c1ccccc1)(c1ccccc1)(c1ccccc1)OC(=O)C
• InChI: InChI=1S/3C6H5.2C2H4O2.Bi/c3*1-2-4-6-5-3-1;2*1-2(3)4;/h3*1-5H;2*1H3,(H,3,4);/q;;;;;+2/p-2
• InChIKey: UXYBKDNBDQNDNV-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: (acetyloxy)triphenylbismuthanyl acetate
• IUPAC Traditional name: (acetyloxy)triphenylbismuthanyl acetate
• Synonyms: Bis(acetato-O)triphenylbismuth(V); 二乙酸三苯铋(V)

Database IDs

• CAS Number: 7239-60-3
• MDL Number: MFCD00092697
• PubChem SID: 24872124; 162245480
• PubChem CID: 16684857

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.8432
• LogD (pH = 7.4): 4.8432
• Log P: 4.8432
• Molar Refractivity: 99.8551 cm^3
• Polarizability: 46.528126 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: solid
• Melting Point: ~170 °C (dec.)(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 98%
• Linear Formula: (CH3CO2)2Bi(C6H5)3

DETAILS

Sigma Aldrich - 485721

Packaging
10 g in glass bottle