Back to Search
Trimethyltin Chloride
CAS: 1066-45-1 | C3H9ClSn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1066-45-1
Molecular Formula:
C3H9ClSn
Molecular Mass:
199.27 g/mol
Names and Synonyms:
Trimethyltin Chloride
Stannane, chlorotrimethyl-
Trimethyltin chloride
Chlorotrimethylstannane
M&T Chemicals 1222-45
Chlorotrimethyltin
Trimethylstannyl chloride
Trimethylchlorostannane
Trimethylchlorotin
Trimethyltin monochloride
NSC 12088
NSC 92613
Trimethylstannanyl chloride
Identifiers:
SMILES:
[CH3].[CH3].[CH3].[Cl-].[Sn+]
InChI:
InChI=1S/3CH3.ClH.Sn/h3*1H3;1H;/q;;;;+1/p-1
Key Properties
Boiling Point
154-156 °C
CAS Common Chemistry
Melting Point
37.5 °C
CAS Common Chemistry
Density
1.65 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 | 199.27 g/mol | CAS Common Chemistry |
| 199.269 g/mol | RDKit | |
| 199.941472668 g/mol | RDKit | |
| Density | 1.65 g/cm³ | CAS Common Chemistry |
| 1.645 g/cm3 @ Temp: 40 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Trimethyltin_chloride | CAS Common Chemistry |
| Boiling Point | 154-156 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[Sn](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/3CH3.ClH.Sn/h3*1H3;1H;/q;;;;+1/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=KWTSZCJMWHGPOS-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 37.5 °C | CAS Common Chemistry |
| Name | Trimethyltin chloride | CAS Common Chemistry |
| Heavy Atom Count | 5 | 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 | -2.025929999999998 | RDKit |
| Molar Refractivity | 24.995999999999988 | RDKit |
