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Molecule
Tributyltin Oxide
CAS: 56-35-9 · C24H54OSn2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 56-35-9
- Molecular Formula
- C24H54OSn2
- Molecular Mass
- 596.12 g/mol
Identifiers
CAS Registry Number
56-35-9
SMILES
[CH2]CCC.[CH2]CCC.[CH2]CCC.[CH2]CCC.[CH2]CCC.[CH2]CCC.[O].[Sn].[Sn]
InChI Key
APQHKWPGGHMYKJ-UHFFFAOYSA-N
InChI
InChI=1S/6C4H9.O.2Sn/c6*1-3-4-2;;;/h6*1,3-4H2,2H3;;;
Names and Synonyms
- Tributyltin Oxide Synonym
- Distannoxane, 1,1,1,3,3,3-hexabutyl- Synonym
- Bis(tributyltin) oxide Synonym
- Distannoxane, hexabutyl- Synonym
- 1,1,1,3,3,3-Hexabutyldistannoxane Synonym
- BioMeT TBTO Synonym
- Butinox Synonym
- Oxybis[tributyltin] Synonym
- TBTO Synonym
- 6-Oxa-5,7-distannaundecane, 5,5,7,7-tetrabutyl- Synonym
- Lastanox T Synonym
- Lastanox Q Synonym
- Stannicide A Synonym
- Di-tributyl tin oxide Synonym
- Tributyltin oxide Synonym
- Mykolastanox F Synonym
- Bis(tributylstannic oxide) Synonym
- Lastanox F Synonym
- Vikol AF 25 Synonym
- Vikol LO 25 Synonym
- BioMeT 66 Synonym
- Oxybis(tributylstannane) Synonym
- BioMeT SRM Synonym
- Lastanox T 20 Synonym
- Bis(tributylstannyl) oxide Synonym
- Lastanox Q1 Synonym
- MT 1E Synonym
- Stannicide O Synonym
- Lastanox Super Synonym
- Intercide 340A Synonym
- Aceto TBTO Synonym
- Diall Synonym
- Hexabutyldistannoxane Synonym
- Hexabutylditin oxide Synonym
- Bis(tributylstannyl) ether Synonym
- NSC 22332 Synonym
- NSC 28132 Synonym
- TnBTO Synonym
- Tri-n-butyltin oxide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 596.12 g/mol | CAS Common Chemistry |
| 596.1170000000002 g/mol | RDKit | |
| 598.2218557479999 g/mol | RDKit | |
| 602.163 g/mol | chempirical lib | |
| Density | 1.17 g/cm³ | CAS Common Chemistry |
| 1.17 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tributyltin_oxide | CAS Common Chemistry |
| Canonical SMILES | O([Sn](CCCC)(CCCC)CCCC)[Sn](CCCC)(CCCC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/6C4H9.O.2Sn/c6*1-3-4-2;;;/h6*1,3-4H2,2H3;;; | CAS Common Chemistry |
| InChI Key | InChIKey=APQHKWPGGHMYKJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 45 °C | CAS Common Chemistry |
| Name | Tributyltin oxide | CAS Common Chemistry |
| Heavy Atom Count | 27 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 28.5 Ų | RDKit |
| LogP | 8.843140000000005 | RDKit |
| 8.8431 | RDKit | |
| Molar Refractivity | 133.78450000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 596.117 g/mol | RDKit |
| Boiling Point | 180 °C @ 2 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 596.12 g/mol; density = 1.170 g/mL. Edit any field — others recompute live.
