tributyl(4,5-dihydrofuran-2-yl)stannane

• ChemBase ID: 144225
• Molecular Formular: C16H32OSn
• Molecular Mass: 359.12568
• Monoisotopic Mass: 360.14750964
• SMILES: CCCC[Sn](CCCC)(CCCC)C1=CCCO1
• Canonical SMILES: CCCC[Sn](C1=CCCO1)(CCCC)CCCC
• InChI: InChI=1S/C4H5O.3C4H9.Sn/c1-2-4-5-3-1;3*1-3-4-2;/h1H,2,4H2;3*1,3-4H2,2H3
• InChIKey: QTYBKWIPVOTUQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tributyl(4,5-dihydrofuran-2-yl)stannane
• IUPAC Traditional name: tributyl(4,5-dihydrofuran-2-yl)stannane
• Synonyms: Tributyl(4,5-dihydrofuran-2-yl)tin; Tributyl(4,5-dihydrofuran-2-yl)stannane

Database IDs

• CAS Number: 125769-77-9
• MDL Number: MFCD18785742
• PubChem SID: 162238441
• PubChem CID: 14323397

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 7.092
• LogD (pH = 7.4): 7.092
• Log P: 7.092
• Molar Refractivity: 87.7762 cm^3
• Polarizability: 35.253292 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Flash Point: >110 °C; >230 °F
• Density: 1.128 g/mL at 25 °C
• Refractive Index: n20/D 1.493

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• German water hazard class: 3
• Risk Statements: 21-25-36/38-48/23/25-50/53
• Safety Statements: 35-36/37/39-45-60-61
• 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

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C16H32OSn

DETAILS

Sigma Aldrich - 734055

Packaging
1, 5 g in glass bottle