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Molecule
Tributyltin Hydride
CAS: 688-73-3 · C12H28Sn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 688-73-3
- Molecular Formula
- C12H28Sn
- Molecular Mass
- 291.07 g/mol
Identifiers
CAS Registry Number
688-73-3
SMILES
[CH2]CCC.[CH2]CCC.[CH2]CCC.[H].[Sn]
InChI Key
DBGVGMSCBYYSLD-UHFFFAOYSA-N
InChI
InChI=1S/3C4H9.Sn.H/c3*1-3-4-2;;/h3*1,3-4H2,2H3;;
Names and Synonyms
- Tributyltin Hydride Common Name
- Stannane, tributyl- Synonym
- Tributyltin hydride Synonym
- Tributylstannane Synonym
- Tributylstannic hydride Synonym
- Tri-n-butyltin hydride Synonym
- Tributylstannyl hydride Synonym
- Tri-n-butylstannane Synonym
- Hydridotris(butyl)tin Synonym
- SnH(butyl)3 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 291.07 g/mol | CAS Common Chemistry |
| 292.12129559600004 g/mol | RDKit | |
| 291.067 g/mol | RDKit | |
| 293.082 g/mol | chempirical lib | |
| Density | 1.10 g/cm³ | CAS Common Chemistry |
| 1.103 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tributyltin_hydride | CAS Common Chemistry |
| Canonical SMILES | CCCC[SnH](CCCC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/3C4H9.Sn.H/c3*1-3-4-2;;/h3*1,3-4H2,2H3;; | CAS Common Chemistry |
| InChI Key | InChIKey=DBGVGMSCBYYSLD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Tributylstannane | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.593470000000004 | RDKit |
| 4.5935 | RDKit | |
| Molar Refractivity | 67.66100000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 291.06699999999995 g/mol | RDKit |
| Boiling Point | 76-81 °C @ 0.7-0.9 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
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 = 291.07 g/mol; density = 1.100 g/mL. Edit any field — others recompute live.
