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Molecule
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
Identifiers
CAS Registry Number
1066-45-1
SMILES
[CH3].[CH3].[CH3].[Cl-].[Sn+]
InChI Key
KWTSZCJMWHGPOS-UHFFFAOYSA-M
InChI
InChI=1S/3CH3.ClH.Sn/h3*1H3;1H;/q;;;;+1/p-1
Names and Synonyms
- Trimethyltin Chloride Synonym
- Stannane, chlorotrimethyl- Synonym
- Trimethyltin chloride Synonym
- Chlorotrimethylstannane Synonym
- M&T Chemicals 1222-45 Synonym
- Chlorotrimethyltin Synonym
- Trimethylstannyl chloride Synonym
- Trimethylchlorostannane Synonym
- Trimethylchlorotin Synonym
- Trimethyltin monochloride Synonym
- NSC 12088 Synonym
- NSC 92613 Synonym
- Trimethylstannanyl chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 199.27 g/mol | CAS Common Chemistry |
| 199.941472668 g/mol | RDKit | |
| 199.269 g/mol | RDKit | |
| 202.289 g/mol | chempirical lib | |
| Density | 1.65 g/cm³ | CAS Common Chemistry |
| 1.645 g/cm3 @ 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 |
| -2.0259 | RDKit | |
| Molar Refractivity | 24.995999999999988 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 199.269 g/mol | RDKit |
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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Quick conversion
MW = 199.27 g/mol; density = 1.650 g/mL. Edit any field — others recompute live.
