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Chlorotriethoxysilane
CAS: 4667-99-6 | C6H15ClO3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4667-99-6
Molecular Formula:
C6H15ClO3Si
Molecular Mass:
198.72 g/mol
Names and Synonyms:
Chlorotriethoxysilane
Silane, chlorotriethoxy-
Chlorotriethoxysilane
Triethoxychlorosilane
Monochlorotriethoxysilane
Identifiers:
SMILES:
CCO[Si](Cl)(OCC)OCC
InChI:
InChI=1S/C6H15ClO3Si/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3
Key Properties
Boiling Point
156 °C
CAS Common Chemistry
Melting Point
-51 °C
CAS Common Chemistry
Density
1.01 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 | 198.72 g/mol | CAS Common Chemistry |
| 198.72199999999995 g/mol | RDKit | |
| 198.04789855 g/mol | RDKit | |
| Density | 1.01 g/cm³ | CAS Common Chemistry |
| 1.012 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 156 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[Si](OCC)(OCC)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C6H15ClO3Si/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JEZFASCUIZYYEV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -51 °C | CAS Common Chemistry |
| Name | Chlorotriethoxysilane | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 1.7703000000000002 | RDKit |
| Molar Refractivity | 46.48500000000003 | RDKit |
