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Molecule
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
Identifiers
CAS Registry Number
766-77-8
SMILES
C[SiH](C)c1ccccc1
InChI Key
ZISUALSZTAEPJH-UHFFFAOYSA-N
InChI
InChI=1S/C8H12Si/c1-9(2)8-6-4-3-5-7-8/h3-7,9H,1-2H3
Names and Synonyms
- Dimethylphenylsilane Synonym
- Benzene, (dimethylsilyl)- Synonym
- Silane, dimethylphenyl- Synonym
- (Dimethylsilyl)benzene Synonym
- Phenyldimethylsilane Synonym
- Dimethylphenylsilane Synonym
- Dimethylphenylhydrosilane Synonym
- SIP 6729 Synonym
- LS 2010 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 136.27 g/mol | CAS Common Chemistry |
| 136.26999999999998 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 |
| 1.3803 | RDKit | |
| Molar Refractivity | 44.95300000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 136.070826914 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 136.27 g/mol; density = 0.890 g/mL. Edit any field — others recompute live.
