(benzoyloxy)triphenylstibanyl benzoate

• ChemBase ID: 134560
• Molecular Formular: C32H25O4Sb
• Molecular Mass: 595.2985
• Monoisotopic Mass: 594.07909928
• SMILES: c1ccc(cc1)C(=O)O[Sb](c1ccccc1)(c1ccccc1)(c1ccccc1)OC(=O)c1ccccc1
• Canonical SMILES: O=C(c1ccccc1)O[Sb](c1ccccc1)(c1ccccc1)(c1ccccc1)OC(=O)c1ccccc1
• InChI: InChI=1S/2C7H6O2.3C6H5.Sb/c2*8-7(9)6-4-2-1-3-5-6;3*1-2-4-6-5-3-1;/h2*1-5H,(H,8,9);3*1-5H;/q;;;;;+2/p-2
• InChIKey: TUWAYFRMQJZRFR-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: (benzoyloxy)triphenylstibanyl benzoate
• IUPAC Traditional name: (benzoyloxy)triphenylstibanyl benzoate
• Synonyms: Triphenylantimony(V) dibenzoate; 三苯基锑(V)二苯甲酸

Database IDs

• CAS Number: 57997-56-5
• MDL Number: MFCD03701533
• PubChem SID: 24879188; 162228836
• PubChem CID: 16685126

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 9.3596
• LogD (pH = 7.4): 9.3596
• Log P: 9.3596
• Molar Refractivity: 141.1961 cm^3
• Polarizability: 59.54522 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 174-179 °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: 97%
• Linear Formula: (C6H5)3Sb(O2CC6H5)2