tributyl[(tributylstannyl)oxy]stannane

• ChemBase ID: 109737
• Molecular Formular: C24H54OSn2
• Molecular Mass: 596.08696
• Monoisotopic Mass: 598.22185435
• SMILES: CCCC[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](O[Sn](CCCC)(CCCC)CCCC)(CCCC)CCCC
• InChI: InChI=1S/6C4H9.O.2Sn/c6*1-3-4-2;;;/h6*1,3-4H2,2H3
• InChIKey: APQHKWPGGHMYKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tributyl[(tributylstannyl)oxy]stannane
• IUPAC Traditional name: tributyltin oxide
• Synonyms: bis(TRI-n-BUTYL TIN)OXIDE; HBD; TBTO; Bis[tri-n-butyltin(IV)]oxide; Hexabutyldistannoxane; Tributyltin(IV) oxide; Bis(tributyltin) oxide; TBTO; Tributyltin oxide; Bis[tri-n-butyltin(IV)]oxide; 六丁基二锡氧烷; 双[三正丁基锡(IV)]氧化物; 氧化三丁基锡(IV); 三丁基氧化锡; 双[三正丁基锡(IV)]氧化物

Database IDs

• CAS Number: 56-35-9
• EC Number: 200-268-0
• MDL Number: MFCD00009418
• Beilstein Number: 745057
• PubChem SID: 24899176; 24891834; 162095185; 24869220; 24849198
• PubChem CID: 16682746
• CHEMBL: 511667
• Chemspider ID: 10218152
• KEGG ID: C18149
• Wikipedia Title: Tributyltin_oxide

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 8.061
• LogD (pH = 7.4): 8.061
• Log P: 8.061
• Molar Refractivity: 119.1056 cm^3
• Polarizability: 56.35259 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 20
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: 0.002 g/100 mL in water
• Melting Point: <-45°C; -45 °C
• Boiling Point: 180 °C at 2 mm Hg; 180 °C/2 mmHg(lit.)
• Flash Point: 190 °C; 374 °F
• Density: 1.17 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.486(lit.); n20/D 1.488
• Vapor Pressure: <0.01 mmHg ( 25 °C)

Safety Information

• RTECS: JN8750000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 2788
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 21-25-36/38-48/23/25-50/53; R:25-27; R21 R25 R36/38 R48/23/25 R50/53
• Safety Statements: 36/37/39-45-60-61; S:28-29-36/37/39-45; S36/37/39 S45 S60 S61
• 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: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2788 6.1/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: 96%
• Grade: PESTANAL®, analytical standard; technical; technical grade
• Packaging: ampule of 1000 mg
• Linear Formula: (CH3CH2CH2CH2)3SnOSn(CH2CH2CH2CH3)3

DETAILS

Sigma Aldrich - B53383

Packaging
100, 500 g in glass bottle
Application
Employed in the synthesis of α,β-unsaturated methyl ketones,1 isoxazoles,2 fungicides,3 and bactericides.4

Sigma Aldrich - 15210

Other Notes
Oxidizing reagent (in combination with bromine)1,2

Sigma Aldrich - 45669

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - PS282

Other Notes
COA not provided with product