tributyl[(Z)-2-ethoxyethenyl]stannane

• ChemBase ID: 64163
• Molecular Formular: C16H34OSn
• Molecular Mass: 361.14156
• Monoisotopic Mass: 362.16315971
• SMILES: C(=C\OCC)\[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](/C=C\OCC)(CCCC)CCCC
• InChI: InChI=1S/C4H7O.3C4H9.Sn/c1-3-5-4-2;3*1-3-4-2;/h1,3H,4H2,2H3;3*1,3-4H2,2H3
• InChIKey: WARKYKQCOXTIAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tributyl[(Z)-2-ethoxyethenyl]stannane
• IUPAC Traditional name: tributyl[(Z)-2-ethoxyethenyl]stannane
• Synonyms: (Z)-Tributyl[2-ethoxyethenyl]stannane; cis-1-Ethoxy-2-(tributylstannyl)ethylene; Tributyl((Z)-2-ethoxyvinyl)stannane; cis-Tributyl[2-ethoxyethenyl]stannane; (Z)-1-Ethoxy-2-(tributylstannyl)ethene; (Z)-三丁基[2-乙氧基乙烯基]锡烷; 三丁基((Z)-2-乙氧基乙烯基)锡烷; 顺-1-乙氧基-2-(三丁基锡)乙烯; 顺-三丁基[2-乙氧基乙烯基]锡烷

Database IDs

• CAS Number: 64724-29-4
• MDL Number: MFCD07787391
• PubChem SID: 162029902
• PubChem CID: 5706773

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.9311
• LogD (pH = 7.4): 6.9311
• Log P: 6.9311
• Molar Refractivity: 79.3755 cm^3
• Polarizability: 35.968628 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 84-87 °C/1 mmHg; 84-87°C
• Flash Point: >110 °C; >230 °F
• Density: 1.082; 1.082 g/mL at 25 °C
• Refractive Index: n20/D 1.479

Safety Information

• Storage Warning: TOXIC
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 2788
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 21-25-36/38-48/23/25-50/53
• Safety Statements: 35-36/37/39-45-60-61
• TSCA Listed: false
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H312-H315-H319-H372-H410
• GHS Precautionary statements: P273-P280-P301 + P310-P305 + P351 + P338-P314-P501
• RID/ADR: UN 2788 6.1/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: 94%; 97%
• Empirical Formula (Hill Notation): C16H34OSn

DETAILS

Sigma Aldrich - 707937

Packaging
1, 5 g in glass bottle