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Molecule
Triethyltin Chloride
CAS: 994-31-0 · C6H15ClSn
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 994-31-0
- Molecular Formula
- C6H15ClSn
- Molecular Mass
- 241.35 g/mol
Identifiers
CAS Registry Number
994-31-0
SMILES
[CH2]C.[CH2]C.[CH2]C.[Cl-].[Sn+]
InChI Key
PIMYDFDXAUVLON-UHFFFAOYSA-M
InChI
InChI=1S/3C2H5.ClH.Sn/c3*1-2;;/h3*1H2,2H3;1H;/q;;;;+1/p-1
Names and Synonyms
- Triethyltin Chloride Common Name
- Stannane, chlorotriethyl- Synonym
- Triethyltin chloride Synonym
- Chlorotriethylstannane Synonym
- Chlorotriethyltin Synonym
- Triethylstannyl chloride Synonym
- Triethylchlorostannane Synonym
- Triethylchlorotin Synonym
- NSC 5283 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Density | 1.43 g/cm³ | CAS Common Chemistry |
| 1.429 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | Cl[Sn](CC)(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/3C2H5.ClH.Sn/c3*1-2;;/h3*1H2,2H3;1H;/q;;;;+1/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=PIMYDFDXAUVLON-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 50.15 °C | CAS Common Chemistry |
| Name | Triethyltin chloride | CAS Common Chemistry |
| Molecular Mass | 241.35 g/mol | RDKit |
| 241.98842286 g/mol | RDKit | |
| 244.37 g/mol | chempirical lib | |
| Heavy Atom Count | 8 | 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 | -0.8556299999999992 | RDKit |
| -0.8556 | RDKit | |
| Molar Refractivity | 38.847 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 241.35 g/mol | CAS Common Chemistry |
| Boiling Point | 100-101 °C @ 16 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
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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 = 241.35 g/mol; density = 1.430 g/mL. Edit any field — others recompute live.
