triphenylstannyl acetate

• ChemBase ID: 158061
• Molecular Formular: C20H18O2Sn
• Molecular Mass: 409.05672
• Monoisotopic Mass: 410.03287382
• SMILES: CC(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: CC(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/3C6H5.C2H4O2.Sn/c3*1-2-4-6-5-3-1;1-2(3)4;/h3*1-5H;1H3,(H,3,4);/q;;;;+1/p-1
• InChIKey: WDQNIWFZKXZFAY-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: triphenylstannyl acetate
• IUPAC Traditional name: fentin acetate
• Synonyms: Acetoxytriphenylstannane; Triphenyltin acetate; Fentin acetate; 三苯基锡乙酸酯; 乙酰氧基三苯基锡; 三苯基醋酸锡

Database IDs

• CAS Number: 900-95-8
• EC Number: 212-984-0
• MDL Number: MFCD00014977
• Beilstein Number: 4146107
• PubChem SID: 162252197; 24868993
• PubChem CID: 16682804

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.0899
• LogD (pH = 7.4): 3.0899
• Log P: 3.0899
• Molar Refractivity: 88.139 cm^3
• Polarizability: 39.283184 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: WH6650000
• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: 3146
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 63-24/25-26-37/38-40-41-48/23-50/53
• Safety Statements: 26-28-36/37/39-45-60-61
• GHS Pictograms: GHS05; GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H315-H318-H330-H335-H351-H361d-H372-H410
• GHS Precautionary statements: P260-P273-P280-P284-P301 + P310-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 3146 6.1/PG 3
• Storage Temperature: 2-8°C

Product Information

• Grade: PESTANAL®, analytical standard
• Linear Formula: (C6H5)3SnOCOCH3

DETAILS

Sigma Aldrich - 45491

Legal Information
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