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Molecule
1-Methyl-4-(Trichlorosilyl)Benzene
CAS: 701-35-9 · C7H7Cl3Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 701-35-9
- Molecular Formula
- C7H7Cl3Si
- Molecular Mass
- 225.58 g/mol
Identifiers
CAS Registry Number
701-35-9
SMILES
Cc1ccc([Si](Cl)(Cl)Cl)cc1
InChI Key
WOMUGKOOLXQCTQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H7Cl3Si/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3
Names and Synonyms
- 1-Methyl-4-(Trichlorosilyl)Benzene Systematic Name
- Benzene, 1-methyl-4-(trichlorosilyl)- Synonym
- Silane, trichloro-p-tolyl- Synonym
- Silane, trichloro(4-methylphenyl)- Synonym
- 1-Methyl-4-(trichlorosilyl)benzene Synonym
- p-Tolyltrichlorosilane Synonym
- p-Tolylsilyl trichloride Synonym
- Trichloro-p-tolylsilane Synonym
- Trichloro(4-methylphenyl)silane Synonym
- p-Methylphenyltrichlorosilane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 225.58 g/mol | CAS Common Chemistry |
| 225.57800000000003 g/mol | RDKit | |
| 225.578 g/mol | RDKit | |
| 225.569 g/mol | chempirical lib | |
| 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 |
| 2.8573 | RDKit | |
| Molar Refractivity | 54.12600000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 223.938259794 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
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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Quick conversion
MW = 225.58 g/mol; density = 1.280 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H7Cl3Si.
