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Molecule
Dibutyltin Oxide
CAS: 818-08-6 · C8H18OSn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 818-08-6
- Molecular Formula
- C8H18OSn
- Molecular Mass
- 248.942 g/mol
Identifiers
CAS Registry Number
818-08-6
SMILES
[CH2]CCC.[CH2]CCC.[O].[Sn]
InChI Key
JGFBRKRYDCGYKD-UHFFFAOYSA-N
InChI
InChI=1S/2C4H9.O.Sn/c2*1-3-4-2;;/h2*1,3-4H2,2H3;;
Names and Synonyms
- Dibutyltin Oxide Synonym
- Stannane, dibutyloxo- Synonym
- Dibutyltin oxide Synonym
- Dibutyloxostannane Synonym
- Di-n-butyltin oxide Synonym
- Dibutylstannane oxide Synonym
- Dibutyloxotin Synonym
- Fascat 4201 Synonym
- Tegokat 248 Synonym
- Neostann U 300 Synonym
- Fomrez SUL 11A Synonym
- U 300 Synonym
- NSC 28130 Synonym
- Cotin 100 Synonym
- Stann BO Synonym
- Eurecat 9555 Synonym
- Eurecat 9560 Synonym
- MSCAT 02 Synonym
- FC 4201 Synonym
- Di-n-butyltin(II) oxide Synonym
- MSCAT 01 Synonym
- Fomrez SUL 11B Synonym
- ZT 4201 Synonym
- Tin dibutyl oxide Synonym
- Fomrez SUL 11C Synonym
- Axion CS 2455 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Density | 1.60 g/cm³ | CAS Common Chemistry |
| 1.6 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dibutyltin_oxide | CAS Common Chemistry |
| Canonical SMILES | O=[Sn](CCCC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/2C4H9.O.Sn/c2*1-3-4-2;;/h2*1,3-4H2,2H3;; | CAS Common Chemistry |
| InChI Key | InChIKey=JGFBRKRYDCGYKD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | >150 °C (decomp) | CAS Common Chemistry |
| Name | Dibutyltin oxide | CAS Common Chemistry |
| Molecular Mass | 248.942 g/mol | RDKit |
| 250.037959896 g/mol | RDKit | |
| 252.973 g/mol | chempirical lib | |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 28.5 Ų | RDKit |
| LogP | 2.741580000000001 | RDKit |
| 2.7416 | RDKit | |
| Molar Refractivity | 46.97050000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 248.94 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
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100
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 248.94 g/mol; density = 1.600 g/mL. Edit any field — others recompute live.
