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Phenylsilane
CAS: 694-53-1 | C6H8Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
694-53-1
Molecular Formula:
C6H8Si
Molecular Weight:
108.21599999999997 g/mol
Names and Synonyms:
Phenylsilane
SIP 6750.0
Z 6047
NSC 179699
Monophenylsilane
Phenylsilane
Silylbenzene
Silane, phenyl-
Benzene, silyl-
Identifiers:
SMILES:
[SiH3]c1ccccc1
InChI:
InChI=1S/C6H8Si/c7-6-4-2-1-3-5-6/h1-5H,7H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 108.22 g/mol | Legacy Database |
| density | 0.87 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Phenylsilane None | Legacy Database |
| cas-boiling-point | 119 °C None | Legacy Database |
| cas-canonical-smile | C=1C=CC(=CC1)[SiH3] None | Legacy Database |
| cas-density | 0.868 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C6H8Si/c7-6-4-2-1-3-5-6/h1-5H,7H3 None | Legacy Database |
| cas-inchi-key | InChIKey=PARWUHTVGZSQPD-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -68--64 °C None | Legacy Database |
| cas-name | Phenylsilane None | Legacy Database |
| wikipedia-name | Phenylsilane None | Legacy Database |
| LogP | -0.3227 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 108.21599999999997 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 108.039526786 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 36.01500000000001 | RDKit |
