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Molecule
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
Identifiers
CAS Registry Number
1118-46-3
SMILES
[CH2]CCC.[Cl-].[Cl-].[Cl-].[Sn+3]
InChI Key
YMLFYGFCXGNERH-UHFFFAOYSA-K
InChI
InChI=1S/C4H9.3ClH.Sn/c1-3-4-2;;;;/h1,3-4H2,2H3;3*1H;/q;;;;+3/p-3
Names and Synonyms
- Butyltin Trichloride Common Name
- Stannane, butyltrichloro- Synonym
- Butyltin trichloride Synonym
- Butyltrichlorostannane Synonym
- Monobutyltin trichloride Synonym
- Trichlorobutyltin Synonym
- Butyltrichlorotin Synonym
- Trichlorobutylstannane Synonym
- Butyltin trichloride (BuSnCl3) Synonym
- n-Butyltin trichloride Synonym
- Certincoat TC 100 Synonym
- NSC 67013 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 282.19 g/mol | CAS Common Chemistry |
| 282.186 g/mol | RDKit | |
| 287.216 g/mol | chempirical lib | |
| Density | 1.71 g/cm³ | CAS Common Chemistry |
| 1.71 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Butyltin_trichloride | 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 |
| -7.7482 | RDKit | |
| Molar Refractivity | 26.018999999999988 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 281.879178028 g/mol | RDKit |
| Boiling Point | 102 °C @ 12 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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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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Quick conversion
MW = 282.19 g/mol; density = 1.710 g/mL. Edit any field — others recompute live.
