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Molecule
Phenyltin Trichloride
CAS: 1124-19-2 · C6H5Cl3Sn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1124-19-2
- Molecular Formula
- C6H5Cl3Sn
- Molecular Mass
- 302.18 g/mol
Identifiers
CAS Registry Number
1124-19-2
SMILES
[Cl-].[Cl-].[Cl-].[Sn+3].[c]1ccccc1
InChI Key
UBOGEXSQACVGEC-UHFFFAOYSA-K
InChI
InChI=1S/C6H5.3ClH.Sn/c1-2-4-6-5-3-1;;;;/h1-5H;3*1H;/q;;;;+3/p-3
Names and Synonyms
- Phenyltin Trichloride Synonym
- Stannane, trichlorophenyl- Synonym
- Phenyltin trichloride Synonym
- Trichlorophenylstannane Synonym
- Trichlorophenyltin Synonym
- Phenyltrichlorotin Synonym
- Phenyltrichlorostannane Synonym
- Monophenyltin trichloride Synonym
- Monophenyltin chloride Synonym
- NSC 92617 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 302.18 g/mol | CAS Common Chemistry |
| 302.176 g/mol | RDKit | |
| 308.214 g/mol | chempirical lib | |
| Density | 1.84 g/cm³ | CAS Common Chemistry |
| 1.839 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 142-143 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[Sn](Cl)(Cl)C=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H5.3ClH.Sn/c1-2-4-6-5-3-1;;;;/h1-5H;3*1H;/q;;;;+3/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=UBOGEXSQACVGEC-UHFFFAOYSA-K | CAS Common Chemistry |
| Melting Point | -31 °C | CAS Common Chemistry |
| Name | Phenyltin trichloride | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | -7.882010000000007 | RDKit |
| -7.882 | RDKit | |
| Molar Refractivity | 31.031999999999996 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 301.8478779 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 302.18 g/mol; density = 1.840 g/mL. Edit any field — others recompute live.
