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Molecule
Diphenyltin Dichloride
CAS: 1135-99-5 · C12H10Cl2Sn
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1135-99-5
- Molecular Formula
- C12H10Cl2Sn
- Molecular Mass
- 343.83 g/mol
Identifiers
CAS Registry Number
1135-99-5
SMILES
[Cl-].[Cl-].[Sn+2].[c]1ccccc1.[c]1ccccc1
InChI Key
ISXUHJXWYNONDI-UHFFFAOYSA-L
InChI
InChI=1S/2C6H5.2ClH.Sn/c2*1-2-4-6-5-3-1;;;/h2*1-5H;2*1H;/q;;;;+2/p-2
Names and Synonyms
- Diphenyltin Dichloride Common Name
- Stannane, dichlorodiphenyl- Synonym
- Diphenyltin dichloride Synonym
- Dichlorodiphenylstannane Synonym
- Dichlorodiphenyltin Synonym
- Diphenylstannyl dichloride Synonym
- Diphenyldichlorotin Synonym
- Diphenyltin chloride Synonym
- Dichlorobis(phenyl)tin Synonym
- NSC 405640 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 343.83 g/mol | CAS Common Chemistry |
| 343.82900000000006 g/mol | RDKit | |
| 343.91815038 g/mol | RDKit | |
| 349.87 g/mol | chempirical lib | |
| Boiling Point | 335 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[Sn](Cl)(C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/2C6H5.2ClH.Sn/c2*1-2-4-6-5-3-1;;;/h2*1-5H;2*1H;/q;;;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=ISXUHJXWYNONDI-UHFFFAOYSA-L | CAS Common Chemistry |
| Melting Point | 42 °C | CAS Common Chemistry |
| Name | Diphenyltin dichloride | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | -3.399219999999996 | RDKit |
| -3.3992 | RDKit | |
| Molar Refractivity | 56.31000000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 343.829 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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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MW = 343.83 g/mol. Edit any field — others recompute live.
