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Molecule
Trichlorophenylsilane
CAS: 98-13-5 · C6H5Cl3Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 98-13-5
- Molecular Formula
- C6H5Cl3Si
- Molecular Mass
- 211.55 g/mol
Identifiers
CAS Registry Number
98-13-5
SMILES
Cl[Si](Cl)(Cl)c1ccccc1
InChI Key
ORVMIVQULIKXCP-UHFFFAOYSA-N
InChI
InChI=1S/C6H5Cl3Si/c7-10(8,9)6-4-2-1-3-5-6/h1-5H
Names and Synonyms
- Trichlorophenylsilane Common Name
- Benzene, (trichlorosilyl)- Synonym
- Silane, trichlorophenyl- Synonym
- (Trichlorosilyl)benzene Synonym
- Phenylsilicon trichloride Synonym
- Phenyltrichlorosilane Synonym
- Silicon phenyl trichloride Synonym
- Trichlorophenylsilane Synonym
- Phenylsilyl trichloride Synonym
- TSL 8063 Synonym
- KA 103 Synonym
- NSC 77080 Synonym
- phenyl chloride silicide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 211.55 g/mol | CAS Common Chemistry |
| 211.55100000000002 g/mol | RDKit | |
| 211.551 g/mol | RDKit | |
| 211.542 g/mol | chempirical lib | |
| Density | 1.32 g/cm³ | CAS Common Chemistry |
| 1.321 g/cm3 @ 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 |
| 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 |
| 2.5489 | RDKit | |
| Molar Refractivity | 49.38900000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 209.92260973 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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.
External Resources
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MW = 211.55 g/mol; density = 1.320 g/mL. Edit any field — others recompute live.
