(acetyloxy)triphenylstibanyl acetate

• ChemBase ID: 147779
• Molecular Formular: C22H21O4Sb
• Molecular Mass: 471.15974
• Monoisotopic Mass: 470.04779915
• SMILES: CC(=O)O[Sb](c1ccccc1)(c1ccccc1)(c1ccccc1)OC(=O)C
• Canonical SMILES: CC(=O)O[Sb](c1ccccc1)(c1ccccc1)(c1ccccc1)OC(=O)C
• InChI: InChI=1S/3C6H5.2C2H4O2.Sb/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: MPOFCRCFZPKTCF-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: (acetyloxy)triphenylstibanyl acetate
• IUPAC Traditional name: (acetyloxy)triphenylstibanyl acetate
• Synonyms: Triphenylantimony(V) diacetate; 三苯基二乙酸锑(V)

Database IDs

• CAS Number: 1538-62-1
• EC Number: 216-262-6
• MDL Number: MFCD00127961
• PubChem SID: 24848384; 162241962
• PubChem CID: 16683106

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.6988
• LogD (pH = 7.4): 4.6988
• Log P: 4.6988
• Molar Refractivity: 99.8551 cm^3
• Polarizability: 44.181515 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 217-221 °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
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H332-H411
• GHS Precautionary statements: P273
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3077 9/PG 3

Product Information

• Purity: 97%
• Linear Formula: (CH3CO2)2Sb(C6H5)3

DETAILS

Sigma Aldrich - 142166

Packaging
1 g in glass bottle