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Tetrabutyltin
CAS: 1461-25-2 | C16H36Sn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1461-25-2
Molecular Formula:
C16H36Sn
Molecular Mass:
347.17 g/mol
Names and Synonyms:
Tetrabutyltin
Stannane, tetrabutyl-
Tetrabutylstannane
Tetra-n-butyltin
Tetrabutyltin
Tetra-n-butylstannane
Tetrabutyltin(IV)
NSC 22330
NSC 28131
NSC 65524
Identifiers:
SMILES:
[CH2]CCC.[CH2]CCC.[CH2]CCC.[CH2]CCC.[Sn]
InChI:
InChI=1S/4C4H9.Sn/c4*1-3-4-2;/h4*1,3-4H2,2H3;
Key Properties
Boiling Point
145 °C @ Press: 10 Torr
CAS Common Chemistry
Melting Point
-97 °C
CAS Common Chemistry
Density
1.05 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 | 347.17 g/mol | CAS Common Chemistry |
| 347.1749999999999 g/mol | RDKit | |
| 348.183895852 g/mol | RDKit | |
| Density | 1.05 g/cm³ | CAS Common Chemistry |
| 1.054 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tetrabutyltin | CAS Common Chemistry |
| Boiling Point | 145 °C @ Press: 10 Torr | CAS Common Chemistry |
| Canonical SMILES | CCCC[Sn](CCCC)(CCCC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/4C4H9.Sn/c4*1-3-4-2;/h4*1,3-4H2,2H3; | CAS Common Chemistry |
| InChI Key | InChIKey=AFCAKJKUYFLYFK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -97 °C | CAS Common Chemistry |
| Name | Tetrabutyltin | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 6.101560000000006 | RDKit |
| Molar Refractivity | 86.81400000000008 | RDKit |
