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[(Trichlorosilyl)Methyl]Benzene
CAS: 770-10-5 | C7H7Cl3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
770-10-5
Molecular Formula:
C7H7Cl3Si
Molecular Mass:
225.58 g/mol
Names and Synonyms:
[(Trichlorosilyl)Methyl]Benzene
Benzene, [(trichlorosilyl)methyl]-
Silane, benzyltrichloro-
Silane, trichloro(phenylmethyl)-
[(Trichlorosilyl)methyl]benzene
Benzyltrichlorosilane
Identifiers:
SMILES:
Cl[Si](Cl)(Cl)Cc1ccccc1
InChI:
InChI=1S/C7H7Cl3Si/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2
Key Properties
Boiling Point
140-142 °C @ Press: 10 Torr
CAS Common Chemistry
Density
1.29 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 | 225.58 g/mol | CAS Common Chemistry |
| 225.578 g/mol | RDKit | |
| 223.938259794 g/mol | RDKit | |
| Density | 1.29 g/cm³ | CAS Common Chemistry |
| 1.288 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 140-142 °C @ Press: 10 Torr | CAS Common Chemistry |
| Canonical SMILES | Cl[Si](Cl)(Cl)CC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H7Cl3Si/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=GONOPSZTUGRENK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | [(Trichlorosilyl)methyl]benzene | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.4236000000000013 | RDKit |
| Molar Refractivity | 53.459000000000024 | RDKit |
