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Methyltin Trichloride
CAS: 993-16-8 | CH3Cl3Sn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
993-16-8
Molecular Formula:
CH3Cl3Sn
Molecular Mass:
240.11 g/mol
Names and Synonyms:
Methyltin Trichloride
Stannane, trichloromethyl-
Methyltin trichloride
Trichloromethylstannane
Trichloromethyltin
Methyltrichlorostannane
Methyltrichlorotin
Monomethyltin trichloride
Identifiers:
SMILES:
[CH3].[Cl-].[Cl-].[Cl-].[Sn+3]
InChI:
InChI=1S/CH3.3ClH.Sn/h1H3;3*1H;/q;;;;+3/p-3
Key Properties
Boiling Point
171 °C
CAS Common Chemistry
Melting Point
45.5 °C
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 | 240.11 g/mol | CAS Common Chemistry |
| 240.10500000000002 g/mol | RDKit | |
| 239.832227836 g/mol | RDKit | |
| Boiling Point | 171 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[Sn](Cl)(Cl)C | CAS Common Chemistry |
| InChI | InChI=1S/CH3.3ClH.Sn/h1H3;3*1H;/q;;;;+3/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=YFRLQYJXUZRYDN-UHFFFAOYSA-K | CAS Common Chemistry |
| Melting Point | 45.5 °C | CAS Common Chemistry |
| Name | Methyltin trichloride | 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 | -8.918510000000003 | RDKit |
| Molar Refractivity | 12.168000000000001 | RDKit |
