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Butyltin Trichloride
CAS: 1118-46-3 | C4H9Cl3Sn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1118-46-3
Molecular Formula:
C4H9Cl3Sn
Molecular Mass:
282.19 g/mol
Names and Synonyms:
Butyltin Trichloride
Stannane, butyltrichloro-
Butyltin trichloride
Butyltrichlorostannane
Monobutyltin trichloride
Trichlorobutyltin
Butyltrichlorotin
Trichlorobutylstannane
Butyltin trichloride (BuSnCl3)
n-Butyltin trichloride
Certincoat TC 100
NSC 67013
Identifiers:
SMILES:
[CH2]CCC.[Cl-].[Cl-].[Cl-].[Sn+3]
InChI:
InChI=1S/C4H9.3ClH.Sn/c1-3-4-2;;;;/h1,3-4H2,2H3;3*1H;/q;;;;+3/p-3
Key Properties
Boiling Point
102 °C @ Press: 12 Torr
CAS Common Chemistry
Melting Point
-63 °C
CAS Common Chemistry
Density
1.71 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 | 282.19 g/mol | CAS Common Chemistry |
| 282.186 g/mol | RDKit | |
| 281.879178028 g/mol | RDKit | |
| Density | 1.71 g/cm³ | CAS Common Chemistry |
| 1.71 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Butyltin_trichloride | CAS Common Chemistry |
| Boiling Point | 102 °C @ Press: 12 Torr | CAS Common Chemistry |
| Canonical SMILES | Cl[Sn](Cl)(Cl)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C4H9.3ClH.Sn/c1-3-4-2;;;;/h1,3-4H2,2H3;3*1H;/q;;;;+3/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=YMLFYGFCXGNERH-UHFFFAOYSA-K | CAS Common Chemistry |
| Melting Point | -63 °C | CAS Common Chemistry |
| Name | Butyltin trichloride | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | -7.748210000000005 | RDKit |
| Molar Refractivity | 26.018999999999988 | RDKit |
