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

• ChemBase ID: 65060
• Molecular Formular: C15H32Sn
• Molecular Mass: 331.11558
• Monoisotopic Mass: 332.15259502
• SMILES: C(=C\[Sn](CCCC)(CCCC)CCCC)\C
• Canonical SMILES: CCCC[Sn](/C=C\C)(CCCC)CCCC
• InChI: InChI=1S/3C4H9.C3H5.Sn/c3*1-3-4-2;1-3-2;/h3*1,3-4H2,2H3;1,3H,2H3
• InChIKey: FJXYMVBFBYAWDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tributyl(1Z)-prop-1-en-1-ylstannane
• IUPAC Traditional name: tributyl(1Z)-prop-1-en-1-ylstannane
• Synonyms: 1-Propenyltri-n-butylstannane; 1-(Tri-n-butylstannyl)propene; Tri-n-butyl(1-propenyl)tin, cis + trans; (Z)-Tri-n-butyl(1-propenyl)tin; 顺-三正丁基(丙烯基)锡, tech. 90%

Database IDs

• CAS Number: 105494-65-3; 66680-84-0
• EC Number: 000-000-0
• MDL Number: MFCD03425868; MFCD03425869
• Beilstein Number: 4176362
• PubChem SID: 162030799
• PubChem CID: 10914524

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

• Boiling Point: 77-78°C/0.25mm

Safety Information

• Storage Warning: IRRITANT
• 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: 35-36/37/39-45-60-61
• TSCA Listed: false; 否
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Hazard statements: H301-H312-H315-H319-H372-H400-H410
• GHS Precautionary statements: P260-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 90%; 94%