tributyl(methoxy)stannane

• ChemBase ID: 148994
• Molecular Formular: C13H30OSn
• Molecular Mass: 321.0777
• Monoisotopic Mass: 322.13185958
• SMILES: CCCC[Sn](CCCC)(CCCC)OC
• Canonical SMILES: CCCC[Sn](CCCC)(CCCC)OC
• InChI: InChI=1S/3C4H9.CH3O.Sn/c3*1-3-4-2;1-2;/h3*1,3-4H2,2H3;1H3;/q;;;-1;+1
• InChIKey: KJGLZJQPMKQFIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tributyl(methoxy)stannane
• IUPAC Traditional name: tributyl(methoxy)stannane
• Synonyms: Tributyltin methoxide; 三正丁基甲氧基锡

Database IDs

• CAS Number: 1067-52-3
• EC Number: 213-933-5
• MDL Number: MFCD00009419
• PubChem SID: 162243164; 24853739
• PubChem CID: 16683411

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.0866
• LogD (pH = 7.4): 4.0866
• Log P: 4.0866
• Molar Refractivity: 65.9246 cm^3
• Polarizability: 30.72781 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 97-97.5 °C/0.06 mmHg(lit.)
• Flash Point: 210.2 °F; 99 °C
• Density: 1.115 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.472(lit.)

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 2788
• 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
• 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%
• Linear Formula: [CH3(CH2)3]3SnOCH3

DETAILS

Sigma Aldrich - 229245

Application
For a review on tin reagents in organic synthesis see Aldrichimica Acta.1
Packaging
25, 100 g in Sure/Seal™