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Molecule
Methyltin Trichloride
CAS: 993-16-8 · CH3Cl3Sn
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 993-16-8
- Molecular Formula
- CH3Cl3Sn
- Molecular Mass
- 240.11 g/mol
Identifiers
CAS Registry Number
993-16-8
SMILES
[CH3].[Cl-].[Cl-].[Cl-].[Sn+3]
InChI Key
YFRLQYJXUZRYDN-UHFFFAOYSA-K
InChI
InChI=1S/CH3.3ClH.Sn/h1H3;3*1H;/q;;;;+3/p-3
Names and Synonyms
- Methyltin Trichloride Common Name
- Stannane, trichloromethyl- Synonym
- Methyltin trichloride Synonym
- Trichloromethylstannane Synonym
- Trichloromethyltin Synonym
- Methyltrichlorostannane Synonym
- Methyltrichlorotin Synonym
- Monomethyltin trichloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 240.11 g/mol | CAS Common Chemistry |
| 240.10500000000002 g/mol | RDKit | |
| 240.105 g/mol | RDKit | |
| 245.135 g/mol | chempirical lib | |
| 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 |
| -8.9185 | RDKit | |
| Molar Refractivity | 12.168000000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 239.832227836 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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 = 240.11 g/mol. Edit any field — others recompute live.
