formaldehyde; tributyl(1Z)-prop-1-en-1-ylstannane

• ChemBase ID: 297778
• Molecular Formular: C16H34OSn
• Molecular Mass: 361.14156
• Monoisotopic Mass: 362.16315971
• SMILES: CCCC[Sn](CCCC)(CCCC)/C=C\C.C=O
• Canonical SMILES: CCCC[Sn](/C=C\C)(CCCC)CCCC.O=C
• InChI: InChI=1S/3C4H9.C3H5.CH2O.Sn/c3*1-3-4-2;1-3-2;1-2;/h3*1,3-4H2,2H3;1,3H,2H3;1H2
• InChIKey: QMXYHCGEUHFIGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: formaldehyde; tributyl(1Z)-prop-1-en-1-ylstannane
• IUPAC Traditional name: formaldehyde; tributyl(1Z)-prop-1-en-1-ylstannane
• Synonyms: Ethyl 2-(tri-n-butylstannyl)vinyl ether; (Z)-Tri-n-butyl(2-ethoxyethenyl)stannane; cis-1-Ethoxy-2-(tri-n-butylstannyl)ethylene; 顺-1-乙氧基-2-(三正丁基锡)乙烯

Database IDs

• CAS Number: 64724-29-4
• MDL Number: MFCD07787391
• PubChem SID: 180683309
• PubChem CID: 73995231

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.461
• LogD (pH = 7.4): 7.461
• Log P: 7.461
• Molar Refractivity: 73.5715 cm^3
• Polarizability: 33.411934 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 84-87°C
• Density: 1.082

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: UN2788
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 21-25-36/38-48/23/25-50/53
• Safety Statements: 36/37/39-45-60-61
• TSCA Listed: 否
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Hazard statements: H301-H312-H315-H319-H372-H400-H410
• GHS Precautionary statements: P280-P273-P309-P310-P501A

Product Information

• Purity: 94%