tris(2-methyl-2-phenylpropyl)({[tris(2-methyl-2-phenylpropyl)stannyl]oxy})stannane

• ChemBase ID: 158143
• Molecular Formular: C60H78OSn2
• Molecular Mass: 1052.66272
• Monoisotopic Mass: 1054.40965512
• SMILES: CC(C)(C[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c1ccccc1)O[Sn](CC(C)(C)c1ccccc1)(CC(C)(C)c1ccccc1)CC(C)(C)c1ccccc1)c1ccccc1
• Canonical SMILES: CC(c1ccccc1)(C[Sn](O[Sn](CC(c1ccccc1)(C)C)(CC(c1ccccc1)(C)C)CC(c1ccccc1)(C)C)(CC(c1ccccc1)(C)C)CC(c1ccccc1)(C)C)C
• InChI: InChI=1S/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3
• InChIKey: HOXINJBQVZWYGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(2-methyl-2-phenylpropyl)({[tris(2-methyl-2-phenylpropyl)stannyl]oxy})stannane
• IUPAC Traditional name: vendex
• Synonyms: Bis[tris-(2-methyl-2-phenylpropyl)tin] oxide; Fenbutatin oxide; 双[三(2-甲基-2-苯基丙基)锡]氧化物; 苯丁锡

Database IDs

• CAS Number: 13356-08-6
• EC Number: 236-407-7
• MDL Number: MFCD00072480
• PubChem SID: 24899103; 24861159; 162252279
• PubChem CID: 16683004

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 18.4362
• LogD (pH = 7.4): 18.4362
• Log P: 18.4362
• Molar Refractivity: 265.2878 cm^3
• Polarizability: 113.26085 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 20
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: 100 °C; 212 °F

Safety Information

• RTECS: JN8770000
• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 26-36/38-50/53
• Safety Statements: 28-36/37-45-60-61
• GHS Pictograms: GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H319-H330-H410
• GHS Precautionary statements: P260-P273-P284-P305 + P351 + P338-P310-P501
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Grade: analytical standard; PESTANAL®, analytical standard
• Packaging: ampule of 1000 mg
• Empirical Formula (Hill Notation): C60H78OSn2

DETAILS

Sigma Aldrich - 34342

Legal Information
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