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Molecule
Tributyltin Chloride
CAS: 1461-22-9 · C12H27ClSn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1461-22-9
- Molecular Formula
- C12H27ClSn
- Molecular Mass
- 325.51199999999994 g/mol
Identifiers
CAS Registry Number
1461-22-9
SMILES
[CH2]CCC.[CH2]CCC.[CH2]CCC.[Cl-].[Sn+]
InChI Key
GCTFWCDSFPMHHS-UHFFFAOYSA-M
InChI
InChI=1S/3C4H9.ClH.Sn/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H;/q;;;;+1/p-1
Names and Synonyms
- Tributyltin Chloride Synonym
- Stannane, tributylchloro- Synonym
- Tributyltin chloride Synonym
- Tributylchlorostannane Synonym
- Chlorotri-n-butyltin Synonym
- Chlorotributylstannane Synonym
- Tributylchlorotin Synonym
- Tri-n-butylchlorotin Synonym
- Tributylstannyl chloride Synonym
- Monochlorotributyltin Synonym
- WR 3396 Synonym
- Chlorotributyltin Synonym
- Tri-n-butylchlorostannane Synonym
- Chlorotri-n-butylstannane Synonym
- Tri-n-butylstannyl chloride Synonym
- NSC 22323 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Density | 1.20 g/cm³ | CAS Common Chemistry |
| 1.20 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tributyltin_chloride | CAS Common Chemistry |
| Canonical SMILES | Cl[Sn](CCCC)(CCCC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/3C4H9.ClH.Sn/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H;/q;;;;+1/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=GCTFWCDSFPMHHS-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | -19 °C | CAS Common Chemistry |
| Name | Tributyltin chloride | CAS Common Chemistry |
| Molecular Mass | 325.51199999999994 g/mol | RDKit |
| 326.082323244 g/mol | RDKit | |
| 325.512 g/mol | RDKit | |
| 328.532 g/mol | chempirical lib | |
| Heavy Atom Count | 14 | 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 | 1.4849699999999997 | RDKit |
| 1.485 | RDKit | |
| Molar Refractivity | 66.54900000000005 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 325.51 g/mol | CAS Common Chemistry |
| Boiling Point | 171-173 °C @ 25 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
80
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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 = 325.51 g/mol; density = 1.200 g/mL. Edit any field — others recompute live.
