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Trichlorophenylsilane
CAS: 98-13-5 | C6H5Cl3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
98-13-5
Molecular Formula:
C6H5Cl3Si
Molecular Mass:
211.55 g/mol
Names and Synonyms:
Trichlorophenylsilane
Benzene, (trichlorosilyl)-
Silane, trichlorophenyl-
(Trichlorosilyl)benzene
Phenylsilicon trichloride
Phenyltrichlorosilane
Silicon phenyl trichloride
Trichlorophenylsilane
Phenylsilyl trichloride
TSL 8063
KA 103
NSC 77080
phenyl chloride silicide
Identifiers:
SMILES:
Cl[Si](Cl)(Cl)c1ccccc1
InChI:
InChI=1S/C6H5Cl3Si/c7-10(8,9)6-4-2-1-3-5-6/h1-5H
Key Properties
Boiling Point
201 °C
CAS Common Chemistry
Melting Point
-33 °C
CAS Common Chemistry
Density
1.32 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 | 211.55 g/mol | CAS Common Chemistry |
| 211.55100000000002 g/mol | RDKit | |
| 209.92260973 g/mol | RDKit | |
| Density | 1.32 g/cm³ | CAS Common Chemistry |
| 1.321 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Trichlorophenylsilane | CAS Common Chemistry |
| Boiling Point | 201 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[Si](Cl)(Cl)C=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H5Cl3Si/c7-10(8,9)6-4-2-1-3-5-6/h1-5H | CAS Common Chemistry |
| InChI Key | InChIKey=ORVMIVQULIKXCP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -33 °C | CAS Common Chemistry |
| Name | Phenyltrichlorosilane | CAS Common Chemistry |
| Trichlorophenylsilane | CAS Common Chemistry | |
| Heavy Atom Count | 10 | 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 | 2.5489000000000006 | RDKit |
| Molar Refractivity | 49.38900000000002 | RDKit |
