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Molecule
Dioctyltin Dichloride
CAS: 3542-36-7 · C16H34Cl2Sn
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3542-36-7
- Molecular Formula
- C16H34Cl2Sn
- Molecular Mass
- 416.06499999999994 g/mol
Identifiers
CAS Registry Number
3542-36-7
SMILES
[CH2]CCCCCCC.[CH2]CCCCCCC.[Cl-].[Cl-].[Sn+2]
InChI Key
SBOSGIJGEHWBKV-UHFFFAOYSA-L
InChI
InChI=1S/2C8H17.2ClH.Sn/c2*1-3-5-7-8-6-4-2;;;/h2*1,3-8H2,2H3;2*1H;/q;;;;+2/p-2
Names and Synonyms
- Dioctyltin Dichloride Synonym
- Stannane, dichlorodioctyl- Synonym
- Dioctyltin dichloride Synonym
- Tin, dichlorodioctyl- Synonym
- Dichlorodioctylstannane Synonym
- Dichlorodioctyltin Synonym
- Dioctyldichlorotin Synonym
- Dioctylstannyl dichloride Synonym
- NSC 102574 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Density | 1.18 g/cm³ | CAS Common Chemistry |
| 1.175 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | Cl[Sn](Cl)(CCCCCCCC)CCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/2C8H17.2ClH.Sn/c2*1-3-5-7-8-6-4-2;;;/h2*1,3-8H2,2H3;2*1H;/q;;;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=SBOSGIJGEHWBKV-UHFFFAOYSA-L | CAS Common Chemistry |
| Melting Point | 46-48 °C | CAS Common Chemistry |
| Name | Dioctyltin dichloride | CAS Common Chemistry |
| Molecular Mass | 416.06499999999994 g/mol | RDKit |
| 416.105951148 g/mol | RDKit | |
| 416.065 g/mol | RDKit | |
| 420.09 g/mol | chempirical lib | |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | -0.010819999999996499 | RDKit |
| -0.0108 | RDKit | |
| Molar Refractivity | 83.22000000000007 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.875 | RDKit |
| Exact Mass | 416.06 g/mol | CAS Common Chemistry |
| Boiling Point | 175 °C @ 1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 416.06 g/mol; density = 1.180 g/mL. Edit any field — others recompute live.
