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1-Chloro-4-(Trichlorosilyl)Benzene
CAS: 825-94-5 | C6H4Cl4Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
825-94-5
Molecular Formula:
C6H4Cl4Si
Molecular Mass:
246.00 g/mol
Names and Synonyms:
1-Chloro-4-(Trichlorosilyl)Benzene
Benzene, 1-chloro-4-(trichlorosilyl)-
Silane, trichloro(p-chlorophenyl)-
Silane, trichloro(4-chlorophenyl)-
1-Chloro-4-(trichlorosilyl)benzene
4-Chlorophenyltrichlorosilane
p-Chlorophenyltrichlorosilane
Trichloro(p-chlorophenyl)silane
Trichloro(4-chlorophenyl)silane
Identifiers:
SMILES:
Clc1ccc([Si](Cl)(Cl)Cl)cc1
InChI:
InChI=1S/C6H4Cl4Si/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H
Key Properties
Boiling Point
105 °C @ Press: 18 Torr
CAS Common Chemistry
Density
1.41 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 | 246.00 g/mol | CAS Common Chemistry |
| 245.996 g/mol | RDKit | |
| 243.883637378 g/mol | RDKit | |
| Density | 1.41 g/cm³ | CAS Common Chemistry |
| 1.4062 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 105 °C @ Press: 18 Torr | CAS Common Chemistry |
| Canonical SMILES | ClC1=CC=C(C=C1)[Si](Cl)(Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/C6H4Cl4Si/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H | CAS Common Chemistry |
| InChI Key | InChIKey=ABADVTXFGWCNBV-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Chloro-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 | 3.202300000000001 | RDKit |
| Molar Refractivity | 54.399000000000015 | RDKit |
