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Dimethylphenylsilane
CAS: 766-77-8 | C8H12Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
766-77-8
Molecular Formula:
C8H12Si
Molecular Mass:
136.27 g/mol
Names and Synonyms:
Dimethylphenylsilane
Benzene, (dimethylsilyl)-
Silane, dimethylphenyl-
(Dimethylsilyl)benzene
Phenyldimethylsilane
Dimethylphenylsilane
Dimethylphenylhydrosilane
SIP 6729
LS 2010
Identifiers:
SMILES:
C[SiH](C)c1ccccc1
InChI:
InChI=1S/C8H12Si/c1-9(2)8-6-4-3-5-7-8/h3-7,9H,1-2H3
Key Properties
Boiling Point
156.5 °C
CAS Common Chemistry
Melting Point
-124 °C
CAS Common Chemistry
Density
0.89 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 | 136.27 g/mol | CAS Common Chemistry |
| 136.26999999999998 g/mol | RDKit | |
| 136.070826914 g/mol | RDKit | |
| Density | 0.89 g/cm³ | CAS Common Chemistry |
| 0.889 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 156.5 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)[SiH](C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H12Si/c1-9(2)8-6-4-3-5-7-8/h3-7,9H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ZISUALSZTAEPJH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -124 °C | CAS Common Chemistry |
| Name | Dimethylphenylsilane | CAS Common Chemistry |
| Heavy Atom Count | 9 | 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 | 1.3802999999999999 | RDKit |
| Molar Refractivity | 44.95300000000003 | RDKit |
