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Molecule
(Trimethylsilyl)Benzene
CAS: 768-32-1 · C9H14Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 768-32-1
- Molecular Formula
- C9H14Si
- Molecular Mass
- 150.30 g/mol
Identifiers
CAS Registry Number
768-32-1
SMILES
C[Si](C)(C)c1ccccc1
InChI Key
KXFSUVJPEQYUGN-UHFFFAOYSA-N
InChI
InChI=1S/C9H14Si/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3
Names and Synonyms
- (Trimethylsilyl)Benzene Synonym
- Benzene, (trimethylsilyl)- Synonym
- Silane, trimethylphenyl- Synonym
- (Trimethylsilyl)benzene Synonym
- Phenyltrimethylsilane Synonym
- Trimethylphenylsilane Synonym
- Phenyltrimethylsilicon Synonym
- NSC 96828 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 150.30 g/mol | CAS Common Chemistry |
| 150.29699999999997 g/mol | RDKit | |
| 150.297 g/mol | RDKit | |
| Density | 0.87 g/cm³ | CAS Common Chemistry |
| 0.872 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 169.5 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)[Si](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H14Si/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KXFSUVJPEQYUGN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 166-169 °C | CAS Common Chemistry |
| Name | (Trimethylsilyl)benzene | CAS Common Chemistry |
| Heavy Atom Count | 10 | 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 | 2.2318 | RDKit |
| Molar Refractivity | 49.42200000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 150.086476978 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 = 150.30 g/mol; density = 0.870 g/mL. Edit any field — others recompute live.
