tributyl(furan-2-yl)stannane

• ChemBase ID: 65054
• Molecular Formular: C16H30OSn
• Molecular Mass: 357.1098
• Monoisotopic Mass: 358.13185958
• SMILES: o1cccc1[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1ccco1)(CCCC)CCCC
• InChI: InChI=1S/C4H3O.3C4H9.Sn/c1-2-4-5-3-1;3*1-3-4-2;/h1-3H;3*1,3-4H2,2H3
• InChIKey: SANWDQJIWZEKOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tributyl(furan-2-yl)stannane
• IUPAC Traditional name: tributyl(furan-2-yl)stannane
• Synonyms: 2-(Tributylstannyl)furan; 2-(Tributylstannyl)furan; 2-(三丁基锡烷基)呋喃

Database IDs

• CAS Number: 118486-94-5
• MDL Number: MFCD00192512
• PubChem SID: 162030793; 24865939
• PubChem CID: 4393688

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.2578006
• LogD (pH = 7.4): 4.2578
• Log P: 4.2578
• Molar Refractivity: 75.6567 cm^3
• Polarizability: 34.63863 Å^3
• Polar Surface Area: 13.14 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 90 °C/0.1 mmHg(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 1.134 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.494(lit.)

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• UN Number: 2788
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-28
• 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
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2788 6.1/PG 3

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C16H30OSn

DETAILS

Sigma Aldrich - 414506

Packaging
5, 25 mL in glass bottle