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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 Mass:
108.22 g/mol
Names and Synonyms:
Phenylsilane
Benzene, silyl-
Silane, phenyl-
Silylbenzene
Phenylsilane
Monophenylsilane
NSC 179699
Z 6047
SIP 6750.0
Identifiers:
SMILES:
[SiH3]c1ccccc1
InChI:
InChI=1S/C6H8Si/c7-6-4-2-1-3-5-6/h1-5H,7H3
Key Properties
Boiling Point
119 °C
CAS Common Chemistry
Melting Point
-68--64 °C
CAS Common Chemistry
Density
0.87 g/cm³
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 | 108.22 g/mol | CAS Common Chemistry |
| 108.21599999999997 g/mol | RDKit | |
| 108.039526786 g/mol | RDKit | |
| Density | 0.87 g/cm³ | CAS Common Chemistry |
| 0.868 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Phenylsilane | CAS Common Chemistry |
| Boiling Point | 119 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)[SiH3] | CAS Common Chemistry |
| InChI | InChI=1S/C6H8Si/c7-6-4-2-1-3-5-6/h1-5H,7H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PARWUHTVGZSQPD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -68--64 °C | CAS Common Chemistry |
| Name | Phenylsilane | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | -0.3227 | RDKit |
| Molar Refractivity | 36.01500000000001 | RDKit |
