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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:
248.94 g/mol
Names and Synonyms:
Dibutyltin Oxide
Stannane, dibutyloxo-
Dibutyltin oxide
Dibutyloxostannane
Di-n-butyltin oxide
Dibutylstannane oxide
Dibutyloxotin
Fascat 4201
Tegokat 248
Neostann U 300
Fomrez SUL 11A
U 300
NSC 28130
Cotin 100
Stann BO
Eurecat 9555
Eurecat 9560
MSCAT 02
FC 4201
Di-n-butyltin(II) oxide
MSCAT 01
Fomrez SUL 11B
ZT 4201
Tin dibutyl oxide
Fomrez SUL 11C
Axion CS 2455
Identifiers:
SMILES:
[CH2]CCC.[CH2]CCC.[O].[Sn]
InChI:
InChI=1S/2C4H9.O.Sn/c2*1-3-4-2;;/h2*1,3-4H2,2H3;;
Key Properties
Melting Point
>150 °C (decomp)
CAS Common Chemistry
Density
1.60 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 248.94 g/mol | CAS Common Chemistry |
| 248.942 g/mol | RDKit | |
| 250.037959896 g/mol | RDKit | |
| 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 |
| 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 |
| Molar Refractivity | 46.97050000000002 | RDKit |
