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Trichloroethylsilane
CAS: 115-21-9 | C2H5Cl3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
115-21-9
Molecular Formula:
C2H5Cl3Si
Molecular Mass:
163.51 g/mol
Names and Synonyms:
Trichloroethylsilane
Silane, trichloroethyl-
Trichloroethylsilane
Ethyl silicon trichloride
Ethyltrichlorosilane
Trichloroethylsilicon
TSL 8226
LS 120
LS 120 (silane derivative)
SIE 4901.0
Identifiers:
SMILES:
CC[Si](Cl)(Cl)Cl
InChI:
InChI=1S/C2H5Cl3Si/c1-2-6(3,4)5/h2H2,1H3
Key Properties
Boiling Point
97.9 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-105.6 °C
CAS Common Chemistry
Density
1.24 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 | 163.51 g/mol | CAS Common Chemistry |
| 163.507 g/mol | RDKit | |
| 161.92260973 g/mol | RDKit | |
| Density | 1.24 g/cm³ | CAS Common Chemistry |
| 1.2381 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Trichloroethylsilane | CAS Common Chemistry |
| Boiling Point | 97.9 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | Cl[Si](Cl)(Cl)CC | CAS Common Chemistry |
| InChI | InChI=1S/C2H5Cl3Si/c1-2-6(3,4)5/h2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZOYFEXPFPVDYIS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -105.6 °C | CAS Common Chemistry |
| Name | Ethyltrichlorosilane | CAS Common Chemistry |
| Trichloroethylsilane | CAS Common Chemistry | |
| Heavy Atom Count | 6 | 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 | 2.661600000000001 | RDKit |
| Molar Refractivity | 33.794 | RDKit |
