Back to Search
Diphenyltin Dichloride
CAS: 1135-99-5 | C12H10Cl2Sn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1135-99-5
Molecular Formula:
C12H10Cl2Sn
Molecular Mass:
343.83 g/mol
Names and Synonyms:
Diphenyltin Dichloride
Stannane, dichlorodiphenyl-
Diphenyltin dichloride
Dichlorodiphenylstannane
Dichlorodiphenyltin
Diphenylstannyl dichloride
Diphenyldichlorotin
Diphenyltin chloride
Dichlorobis(phenyl)tin
NSC 405640
Identifiers:
SMILES:
[Cl-].[Cl-].[Sn+2].[c]1ccccc1.[c]1ccccc1
InChI:
InChI=1S/2C6H5.2ClH.Sn/c2*1-2-4-6-5-3-1;;;/h2*1-5H;2*1H;/q;;;;+2/p-2
Key Properties
Boiling Point
335 °C
CAS Common Chemistry
Melting Point
42 °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 | 343.83 g/mol | CAS Common Chemistry |
| 343.82900000000006 g/mol | RDKit | |
| 343.91815038 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 56.31000000000003 | RDKit |
