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1,1′,1′′-(Chlorosilylidyne)Tris[Benzene]
CAS: 76-86-8 | C18H15ClSi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
76-86-8
Molecular Formula:
C18H15ClSi
Molecular Mass:
294.86 g/mol
Names and Synonyms:
1,1′,1′′-(Chlorosilylidyne)Tris[Benzene]
Benzene, 1,1′,1′′-(chlorosilylidyne)tris-
Silane, chlorotriphenyl-
1,1′,1′′-(Chlorosilylidyne)tris[benzene]
Chlorotriphenylsilane
Triphenylchlorosilane
Triphenylsilicon chloride
Triphenylsilyl chloride
TSL 8061
NSC 102804
Identifiers:
SMILES:
Cl[Si](c1ccccc1)(c1ccccc1)c1ccccc1
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
Key Properties
Boiling Point
188-189 °C @ Press: 3 Torr
CAS Common Chemistry
Melting Point
91-92 °C
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 | 294.86 g/mol | CAS Common Chemistry |
| 294.857 g/mol | RDKit | |
| 294.06315469000003 g/mol | RDKit | |
| Boiling Point | 188-189 °C @ Press: 3 Torr | CAS Common Chemistry |
| 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 |
| Molar Refractivity | 89.83500000000004 | RDKit |
