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Molecule
1,1′,1′′-(Chlorosilylidyne)Tris[Benzene]
CAS: 76-86-8 · C18H15ClSi
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 76-86-8
- Molecular Formula
- C18H15ClSi
- Molecular Mass
- 294.86 g/mol
Identifiers
CAS Registry Number
76-86-8
SMILES
Cl[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChI Key
MNKYQPOFRKPUAE-UHFFFAOYSA-N
InChI
InChI=1S/C18H15ClSi/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
Names and Synonyms
- 1,1′,1′′-(Chlorosilylidyne)Tris[Benzene] Systematic Name
- Benzene, 1,1′,1′′-(chlorosilylidyne)tris- Synonym
- Silane, chlorotriphenyl- Synonym
- 1,1′,1′′-(Chlorosilylidyne)tris[benzene] Synonym
- Chlorotriphenylsilane Synonym
- Triphenylchlorosilane Synonym
- Triphenylsilicon chloride Synonym
- Triphenylsilyl chloride Synonym
- TSL 8061 Synonym
- NSC 102804 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 294.86 g/mol | CAS Common Chemistry |
| 294.857 g/mol | RDKit | |
| 294.854 g/mol | chempirical lib | |
| Canonical SMILES | Cl[Si](C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C18H15ClSi/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H | CAS Common Chemistry |
| InChI Key | InChIKey=MNKYQPOFRKPUAE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 91-92 °C | CAS Common Chemistry |
| Name | 1,1′,1′′-(Chlorosilylidyne)tris[benzene] | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.8923000000000014 | RDKit |
| 2.8923 | RDKit | |
| Molar Refractivity | 89.83500000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 294.06315469000003 g/mol | RDKit |
| Boiling Point | 188-189 °C @ 3 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 = 294.86 g/mol. Edit any field — others recompute live.
