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Benzyltrimethylsilane
CAS: 770-09-2 | C10H16Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
770-09-2
Molecular Formula:
C10H16Si
Molecular Mass:
164.32 g/mol
Names and Synonyms:
Benzyltrimethylsilane
Benzene, [(trimethylsilyl)methyl]-
Silane, benzyltrimethyl-
Silane, trimethyl(phenylmethyl)-
[(Trimethylsilyl)methyl]benzene
Benzyltrimethylsilane
α-Trimethylsilyltoluene
Trimethylbenzylsilane
(Trimethylsilyl)phenylmethane
Trimethyl(phenylmethyl)silane
NSC 107
Identifiers:
SMILES:
C[Si](C)(C)Cc1ccccc1
InChI:
InChI=1S/C10H16Si/c1-11(2,3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
Key Properties
Boiling Point
190.5 °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 | 164.32 g/mol | CAS Common Chemistry |
| 164.32399999999998 g/mol | RDKit | |
| 164.102127042 g/mol | RDKit | |
| Density | 0.89 g/cm³ | CAS Common Chemistry |
| 0.893 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 190.5 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)C[Si](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C10H16Si/c1-11(2,3)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=MRIWRLGWLMRJIW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Benzyltrimethylsilane | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.1065000000000014 | RDKit |
| Molar Refractivity | 53.49200000000004 | RDKit |
