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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:
325.51 g/mol
Names and Synonyms:
Tributyltin Chloride
Stannane, tributylchloro-
Tributyltin chloride
Tributylchlorostannane
Chlorotri-n-butyltin
Chlorotributylstannane
Tributylchlorotin
Tri-n-butylchlorotin
Tributylstannyl chloride
Monochlorotributyltin
WR 3396
Chlorotributyltin
Tri-n-butylchlorostannane
Chlorotri-n-butylstannane
Tri-n-butylstannyl chloride
NSC 22323
Identifiers:
SMILES:
[CH2]CCC.[CH2]CCC.[CH2]CCC.[Cl-].[Sn+]
InChI:
InChI=1S/3C4H9.ClH.Sn/c3*1-3-4-2;;/h3*1,3-4H2,2H3;1H;/q;;;;+1/p-1
Key Properties
Boiling Point
171-173 °C @ Press: 25 Torr
CAS Common Chemistry
Melting Point
-19 °C
CAS Common Chemistry
Density
1.20 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 | 325.51 g/mol | CAS Common Chemistry |
| 325.51199999999994 g/mol | RDKit | |
| 326.082323244 g/mol | RDKit | |
| Density | 1.20 g/cm³ | CAS Common Chemistry |
| 1.20 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tributyltin_chloride | CAS Common Chemistry |
| Boiling Point | 171-173 °C @ Press: 25 Torr | 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 |
| 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 |
| Molar Refractivity | 66.54900000000005 | RDKit |
