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

• ChemBase ID: 65055
• Molecular Formular: C15H30Sn
• Molecular Mass: 329.0997
• Monoisotopic Mass: 330.13694496
• SMILES: C(=C=C)[Sn](CCCC)(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: Allenyltributyltin(IV); Allenyltributyltin(IV); (Tributylstannyl)allene; Allenyltributylstannane; 1-(Tributylstannyl)propa-1,2-diene; 1,2-丙二烯三正丁基锡

Database IDs

• CAS Number: 53915-69-8
• MDL Number: MFCD00216952
• PubChem SID: 162030794; 24873306
• PubChem CID: 2724988

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: 265 °C(lit.); 265°C
• Flash Point: >110 °C; >110°C; >230 °F
• Density: 1.107; 1.107 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.5(lit.)

Safety Information

• Storage Warning: IRRITANT; Toxic/Air Sensitive/Moisture Sensitive/Keep Cold/Store under Argon
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 2810
• 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: 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 2810 6.1/PG 3

Product Information

• Purity: 80%
• Grade: technical grade
• Linear Formula: [CH3(CH2)3]3SnCH=C=CH2

DETAILS

Sigma Aldrich - 499854

Packaging
1 g in glass bottle