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Dioctyltin Dichloride
CAS: 3542-36-7 | C16H34Cl2Sn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3542-36-7
Molecular Formula:
C16H34Cl2Sn
Molecular Mass:
416.06 g/mol
Names and Synonyms:
Dioctyltin Dichloride
Stannane, dichlorodioctyl-
Dioctyltin dichloride
Tin, dichlorodioctyl-
Dichlorodioctylstannane
Dichlorodioctyltin
Dioctyldichlorotin
Dioctylstannyl dichloride
NSC 102574
Identifiers:
SMILES:
[CH2]CCCCCCC.[CH2]CCCCCCC.[Cl-].[Cl-].[Sn+2]
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
Key Properties
Boiling Point
175 °C @ Press: 1 Torr
CAS Common Chemistry
Melting Point
46-48 °C
CAS Common Chemistry
Density
1.18 g/cm³
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 | 416.06 g/mol | CAS Common Chemistry |
| 416.06499999999994 g/mol | RDKit | |
| 416.105951148 g/mol | RDKit | |
| Density | 1.18 g/cm³ | CAS Common Chemistry |
| 1.175 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 175 °C @ Press: 1 Torr | 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 |
| 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 |
| Molar Refractivity | 83.22000000000007 | RDKit |
