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Molecule
Diethyltin Dichloride
CAS: 866-55-7 · C4H10Cl2Sn
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 866-55-7
- Molecular Formula
- C4H10Cl2Sn
- Molecular Mass
- 247.74099999999999 g/mol
Identifiers
CAS Registry Number
866-55-7
SMILES
[CH2]C.[CH2]C.[Cl-].[Cl-].[Sn+2]
InChI Key
YFAXVVMIXZAKSR-UHFFFAOYSA-L
InChI
InChI=1S/2C2H5.2ClH.Sn/c2*1-2;;;/h2*1H2,2H3;2*1H;/q;;;;+2/p-2
Names and Synonyms
- Diethyltin Dichloride Common Name
- Stannane, dichlorodiethyl- Synonym
- Tin, diethyl-, dichloride Synonym
- Dichlorodiethylstannane Synonym
- Diethyltin dichloride Synonym
- Diethyldichlorostannane Synonym
- Dichlorodiethyltin Synonym
- Diethyldichlorotin Synonym
- Diethylstannyl dichloride Synonym
- NSC 302600 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| 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 |
| Molecular Mass | 247.74099999999999 g/mol | RDKit |
| 247.91815038 g/mol | RDKit | |
| 247.741 g/mol | RDKit | |
| 251.766 g/mol | chempirical lib | |
| 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 |
| -4.692 | RDKit | |
| Molar Refractivity | 27.81599999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 247.74 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 247.74 g/mol. Edit any field — others recompute live.
