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Molecule
Butyltrichlorosilane
CAS: 7521-80-4 · C4H9Cl3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7521-80-4
- Molecular Formula
- C4H9Cl3Si
- Molecular Mass
- 191.56 g/mol
Identifiers
CAS Registry Number
7521-80-4
SMILES
CCCC[Si](Cl)(Cl)Cl
InChI Key
FQEKAFQSVPLXON-UHFFFAOYSA-N
InChI
InChI=1S/C4H9Cl3Si/c1-2-3-4-8(5,6)7/h2-4H2,1H3
Names and Synonyms
- Butyltrichlorosilane Common Name
- Silane, butyltrichloro- Synonym
- Butyltrichlorosilane Synonym
- Trichlorobutylsilane Synonym
- NSC 93881 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 191.56 g/mol | CAS Common Chemistry |
| 191.561 g/mol | RDKit | |
| 191.552 g/mol | chempirical lib | |
| Density | 1.16 g/cm³ | CAS Common Chemistry |
| 1.1606 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 148.5 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[Si](Cl)(Cl)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C4H9Cl3Si/c1-2-3-4-8(5,6)7/h2-4H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FQEKAFQSVPLXON-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 147-149 °C | CAS Common Chemistry |
| Name | Butyltrichlorosilane | CAS Common Chemistry |
| Heavy Atom Count | 8 | 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 | 3.4418000000000015 | RDKit |
| 3.4418 | RDKit | |
| 3.75 | chempirical lib | |
| Molar Refractivity | 43.02800000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 189.953909858 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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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.
External Resources
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Quick conversion
MW = 191.56 g/mol; density = 1.160 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H9Cl3Si.
