Back to Search
Triethyltin Chloride
CAS: 994-31-0 | C6H15ClSn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
994-31-0
Molecular Formula:
C6H15ClSn
Molecular Mass:
241.35 g/mol
Names and Synonyms:
Triethyltin Chloride
Stannane, chlorotriethyl-
Triethyltin chloride
Chlorotriethylstannane
Chlorotriethyltin
Triethylstannyl chloride
Triethylchlorostannane
Triethylchlorotin
NSC 5283
Identifiers:
SMILES:
[CH2]C.[CH2]C.[CH2]C.[Cl-].[Sn+]
InChI:
InChI=1S/3C2H5.ClH.Sn/c3*1-2;;/h3*1H2,2H3;1H;/q;;;;+1/p-1
Key Properties
Boiling Point
100-101 °C @ Press: 16 Torr
CAS Common Chemistry
Melting Point
50.15 °C
CAS Common Chemistry
Density
1.43 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 | 241.35 g/mol | CAS Common Chemistry |
| 241.98842286 g/mol | RDKit | |
| Density | 1.43 g/cm³ | CAS Common Chemistry |
| 1.429 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 100-101 °C @ Press: 16 Torr | 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 |
| 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 |
| Molar Refractivity | 38.847 | RDKit |
