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[2-(Trichlorosilyl)Ethyl]Benzene
CAS: 940-41-0 | C8H9Cl3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
940-41-0
Molecular Formula:
C8H9Cl3Si
Molecular Mass:
239.61 g/mol
Names and Synonyms:
[2-(Trichlorosilyl)Ethyl]Benzene
Benzene, [2-(trichlorosilyl)ethyl]-
Silane, trichlorophenethyl-
Silane, trichloro(2-phenylethyl)-
[2-(Trichlorosilyl)ethyl]benzene
(2-Phenylethyl)trichlorosilane
Trichloro(2-phenylethyl)silane
Trichlorophenethylsilane
Phenethyltrichlorosilane
1-Phenyl-2-(trichlorosilyl)ethane
1-(Trichlorosilyl)-2-phenylethane
2-(Trichlorosilyl)ethylbenzene
Trichloro(β-phenylethyl)silane
NSC 139848
β-Phenetyltrichlorosilane
PETS
LP 1990
3-Phenethyltrichlorosilane
Trichloro(phenylethyl)silane
Identifiers:
SMILES:
Cl[Si](Cl)(Cl)CCc1ccccc1
InChI:
InChI=1S/C8H9Cl3Si/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
Key Properties
Boiling Point
242 °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 | 239.61 g/mol | CAS Common Chemistry |
| 239.605 g/mol | RDKit | |
| 237.953909858 g/mol | RDKit | |
| Density | 1.24 g/cm³ | CAS Common Chemistry |
| 1.240 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 242 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[Si](Cl)(Cl)CCC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C8H9Cl3Si/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FMYXZXAKZWIOHO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | [2-(Trichlorosilyl)ethyl]benzene | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.884400000000002 | RDKit |
| Molar Refractivity | 58.26600000000003 | RDKit |
