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Diethyltin Dichloride
CAS: 866-55-7 | C4H10Cl2Sn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
866-55-7
Molecular Formula:
C4H10Cl2Sn
Molecular Mass:
247.74 g/mol
Names and Synonyms:
Diethyltin Dichloride
Stannane, dichlorodiethyl-
Tin, diethyl-, dichloride
Dichlorodiethylstannane
Diethyltin dichloride
Diethyldichlorostannane
Dichlorodiethyltin
Diethyldichlorotin
Diethylstannyl dichloride
NSC 302600
Identifiers:
SMILES:
[CH2]C.[CH2]C.[Cl-].[Cl-].[Sn+2]
InChI:
InChI=1S/2C2H5.2ClH.Sn/c2*1-2;;;/h2*1H2,2H3;2*1H;/q;;;;+2/p-2
Key Properties
Boiling Point
84 °C
CAS Common Chemistry
Melting Point
82-84 °C @ Solvent: Ligroine
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 | 247.74 g/mol | CAS Common Chemistry |
| 247.74099999999999 g/mol | RDKit | |
| 247.91815038 g/mol | RDKit | |
| Boiling Point | 84 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[Sn](Cl)(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/2C2H5.2ClH.Sn/c2*1-2;;;/h2*1H2,2H3;2*1H;/q;;;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=YFAXVVMIXZAKSR-UHFFFAOYSA-L | CAS Common Chemistry |
| Melting Point | 82-84 °C @ Solvent: Ligroine | CAS Common Chemistry |
| Name | Diethyltin dichloride | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | -4.692019999999998 | RDKit |
| Molar Refractivity | 27.81599999999999 | RDKit |
