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Bis(Tributyltin)
CAS: 813-19-4 | C24H54Sn2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
813-19-4
Molecular Formula:
C24H54Sn2
Molecular Mass:
580.12 g/mol
Names and Synonyms:
Bis(Tributyltin)
Distannane, 1,1,1,2,2,2-hexabutyl-
Distannane, hexabutyl-
Tin, hexabutyldi-
1,1,1,2,2,2-Hexabutyldistannane
Hexabutylditin
Hexabutyldistannane
Hexa-n-butyldistannane
NSC 92633
Bis(tributyltin)
Hexa-n-butylditin
NSC 227367
NSC 65520
Tributylditin
Identifiers:
SMILES:
[CH2]CCC.[CH2]CCC.[CH2]CCC.[CH2]CCC.[CH2]CCC.[CH2]CCC.[Sn].[Sn]
InChI:
InChI=1S/6C4H9.2Sn/c6*1-3-4-2;;/h6*1,3-4H2,2H3;;
Key Properties
Boiling Point
197-198 °C @ Press: 1 Torr
CAS Common Chemistry
Density
1.15 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 | 580.12 g/mol | CAS Common Chemistry |
| 580.1180000000002 g/mol | RDKit | |
| 582.226941128 g/mol | RDKit | |
| Density | 1.15 g/cm³ | CAS Common Chemistry |
| 1.148 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 197-198 °C @ Press: 1 Torr | CAS Common Chemistry |
| Canonical SMILES | CCCC[Sn](CCCC)(CCCC)[Sn](CCCC)(CCCC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/6C4H9.2Sn/c6*1-3-4-2;;/h6*1,3-4H2,2H3;; | CAS Common Chemistry |
| InChI Key | InChIKey=REDSKZBUUUQMSK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Bis(tributyltin) | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 8.961940000000004 | RDKit |
| Molar Refractivity | 133.09800000000007 | RDKit |
