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Molecule
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
Identifiers
CAS Registry Number
825-94-5
SMILES
Clc1ccc([Si](Cl)(Cl)Cl)cc1
InChI Key
ABADVTXFGWCNBV-UHFFFAOYSA-N
InChI
InChI=1S/C6H4Cl4Si/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H
Names and Synonyms
- 1-Chloro-4-(Trichlorosilyl)Benzene Synonym
- Benzene, 1-chloro-4-(trichlorosilyl)- Synonym
- Silane, trichloro(p-chlorophenyl)- Synonym
- Silane, trichloro(4-chlorophenyl)- Synonym
- 1-Chloro-4-(trichlorosilyl)benzene Synonym
- 4-Chlorophenyltrichlorosilane Synonym
- p-Chlorophenyltrichlorosilane Synonym
- Trichloro(p-chlorophenyl)silane Synonym
- Trichloro(4-chlorophenyl)silane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 246.00 g/mol | CAS Common Chemistry |
| 245.996 g/mol | RDKit | |
| 245.984 g/mol | chempirical lib | |
| Density | 1.41 g/cm³ | CAS Common Chemistry |
| 1.4062 g/cm3 @ 20 °C | 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 |
| 3.2023 | RDKit | |
| Molar Refractivity | 54.399000000000015 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 243.883637378 g/mol | RDKit |
| Boiling Point | 105 °C @ 18 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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 = 246.00 g/mol; density = 1.410 g/mL. Edit any field — others recompute live.
