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Molecule
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
- 347.1749999999999 g/mol
Identifiers
CAS Registry Number
1461-25-2
SMILES
[CH2]CCC.[CH2]CCC.[CH2]CCC.[CH2]CCC.[Sn]
InChI Key
AFCAKJKUYFLYFK-UHFFFAOYSA-N
InChI
InChI=1S/4C4H9.Sn/c4*1-3-4-2;/h4*1,3-4H2,2H3;
Names and Synonyms
- Tetrabutyltin Synonym
- Stannane, tetrabutyl- Synonym
- Tetrabutylstannane Synonym
- Tetra-n-butyltin Synonym
- Tetrabutyltin Synonym
- Tetra-n-butylstannane Synonym
- Tetrabutyltin(IV) Synonym
- NSC 22330 Synonym
- NSC 28131 Synonym
- NSC 65524 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Density | 1.05 g/cm³ | CAS Common Chemistry |
| 1.054 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tetrabutyltin | 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 |
| Molecular Mass | 347.1749999999999 g/mol | RDKit |
| 348.183895852 g/mol | RDKit | |
| 347.175 g/mol | RDKit | |
| 349.19 g/mol | chempirical lib | |
| 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 |
| 6.1016 | RDKit | |
| Molar Refractivity | 86.81400000000008 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 347.17 g/mol | CAS Common Chemistry |
| Boiling Point | 145 °C @ 10 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 347.17 g/mol; density = 1.050 g/mL. Edit any field — others recompute live.
