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1-Methyl-4-(Trichlorosilyl)Benzene
CAS: 701-35-9 | C7H7Cl3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
701-35-9
Molecular Formula:
C7H7Cl3Si
Molecular Mass:
225.58 g/mol
Names and Synonyms:
1-Methyl-4-(Trichlorosilyl)Benzene
Benzene, 1-methyl-4-(trichlorosilyl)-
Silane, trichloro-p-tolyl-
Silane, trichloro(4-methylphenyl)-
1-Methyl-4-(trichlorosilyl)benzene
p-Tolyltrichlorosilane
p-Tolylsilyl trichloride
Trichloro-p-tolylsilane
Trichloro(4-methylphenyl)silane
p-Methylphenyltrichlorosilane
Identifiers:
SMILES:
Cc1ccc([Si](Cl)(Cl)Cl)cc1
InChI:
InChI=1S/C7H7Cl3Si/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3
Key Properties
Boiling Point
218-220 °C
CAS Common Chemistry
Density
1.28 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 |
| 225.57800000000003 g/mol | RDKit | |
| 223.938259794 g/mol | RDKit | |
| Density | 1.28 g/cm³ | CAS Common Chemistry |
| 1.280 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 218-220 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[Si](Cl)(Cl)C1=CC=C(C=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H7Cl3Si/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=WOMUGKOOLXQCTQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Methyl-4-(trichlorosilyl)benzene | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.8573200000000014 | RDKit |
| Molar Refractivity | 54.12600000000002 | RDKit |
