tributyl(propa-1,2-dien-1-yl)stannane

• ChemBase ID: 302654
• Molecular Formular: C15H30Sn
• Molecular Mass: 329.0997
• Monoisotopic Mass: 330.13694496
• SMILES: CCCC[Sn](C=C=C)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](C=C=C)(CCCC)CCCC
• InChI: InChI=1S/3C4H9.C3H3.Sn/c3*1-3-4-2;1-3-2;/h3*1,3-4H2,2H3;1H,2H2
• InChIKey: QAHMAFPUBBWUIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tributyl(propa-1,2-dien-1-yl)stannane
• IUPAC Traditional name: tributyl(propa-1,2-dien-1-yl)stannane
• Synonyms: Allenyl(tri-n-butyl)stannane; 1,2-Propadienyltri-n-butylstannane; Allenyltri-n-butyltin, tech. 80%; 1

Database IDs

• CAS Number: 53915-69-8
• MDL Number: MFCD00216952
• Beilstein Number: 3588630

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.2611
• LogD (pH = 7.4): 7.2611
• Log P: 7.2611
• Molar Refractivity: 72.1797 cm^3
• Polarizability: 32.868015 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 80-82°C/0.1mm
• Flash Point: >110°C(230°F)
• Density: 1.107
• Refractive Index: 1.4990

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: UN2788
• Hazard Class: 6.1
• Packing Group: II
• 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: H300-H311-H315-H319-H372-H400-H410
• GHS Precautionary statements: P260-P301+P310-P305+P351+P338-P361-P405-P501A

Product Information

• Purity: tech. 80%