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Dibutyltin Dichloride
CAS: 683-18-1 | C8H18Cl2Sn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
683-18-1
Molecular Formula:
C8H18Cl2Sn
Molecular Mass:
303.85 g/mol
Names and Synonyms:
Dibutyltin Dichloride
Stannane, dibutyldichloro-
Dibutyltin dichloride
Dibutyldichlorostannane
Dichlorodibutyltin
Dibutyltin chloride
Dichlorodibutylstannane
Dibutyldichlorotin
Di-n-butyltin dichloride
NSC 2604
Dichlorobis(dibutyl)tin
Di-n-butyltin(II) chloride
Dibutyltin(IV) dichloride
KC 1A1
Identifiers:
SMILES:
[CH2]CCC.[CH2]CCC.[Cl-].[Cl-].[Sn+2]
InChI:
InChI=1S/2C4H9.2ClH.Sn/c2*1-3-4-2;;;/h2*1,3-4H2,2H3;2*1H;/q;;;;+2/p-2
Key Properties
Boiling Point
135 °C @ Press: 10 Torr
CAS Common Chemistry
Melting Point
43 °C
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 | 303.85 g/mol | CAS Common Chemistry |
| 303.849 g/mol | RDKit | |
| 303.980750636 g/mol | RDKit | |
| Boiling Point | 135 °C @ Press: 10 Torr | CAS Common Chemistry |
| Canonical SMILES | Cl[Sn](Cl)(CCCC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/2C4H9.2ClH.Sn/c2*1-3-4-2;;;/h2*1,3-4H2,2H3;2*1H;/q;;;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=RJGHQTVXGKYATR-UHFFFAOYSA-L | CAS Common Chemistry |
| Melting Point | 43 °C | CAS Common Chemistry |
| Name | Dibutyltin dichloride | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | -3.1316199999999954 | RDKit |
| Molar Refractivity | 46.28400000000003 | RDKit |
