tetraphenylstibanyl acetate

• ChemBase ID: 136259
• Molecular Formular: C26H23O2Sb
• Molecular Mass: 489.21962
• Monoisotopic Mass: 488.07361998
• SMILES: CC(=O)O[Sb](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: CC(=O)O[Sb](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/4C6H5.C2H4O2.Sb/c4*1-2-4-6-5-3-1;1-2(3)4;/h4*1-5H;1H3,(H,3,4);/q;;;;;+1/p-1
• InChIKey: MOQVJYRFLPHSMW-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetraphenylstibanyl acetate
• IUPAC Traditional name: tetraphenylstibanyl acetate
• Synonyms: Tetraphenylantimony(V) acetate

Database IDs

• CAS Number: 24696-71-7
• MDL Number: MFCD05664223
• PubChem SID: 24879179; 162230530
• PubChem CID: 16699436

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.3577
• LogD (pH = 7.4): 6.3577
• Log P: 6.3577
• Molar Refractivity: 113.6133 cm^3
• Polarizability: 49.236996 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 120-133 °C(lit.)

Safety Information

• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 3077
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 20/22-51/53
• Safety Statements: 61
• RID/ADR: UN 3077 9/PG 3

Product Information

• Purity: 98%
• Linear Formula: CH3CO2Sb(C6H5)4