Back to Search
[(Chlorodimethylsilyl)Methyl]Benzene
CAS: 1833-31-4 | C9H13ClSi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1833-31-4
Molecular Formula:
C9H13ClSi
Molecular Mass:
184.74 g/mol
Names and Synonyms:
[(Chlorodimethylsilyl)Methyl]Benzene
Benzene, [(chlorodimethylsilyl)methyl]-
Silane, benzylchlorodimethyl-
Silane, chlorodimethyl(phenylmethyl)-
[(Chlorodimethylsilyl)methyl]benzene
Benzyldimethylchlorosilane
Benzylchlorodimethylsilane
Benzyldimethylsilyl chloride
Phenylmethylchlorodimethylsilane
Identifiers:
SMILES:
C[Si](C)(Cl)Cc1ccccc1
InChI:
InChI=1S/C9H13ClSi/c1-11(2,10)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
Key Properties
Boiling Point
75-76 °C @ Press: 15 Torr
CAS Common Chemistry
Density
0.95 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 | 184.74 g/mol | CAS Common Chemistry |
| 184.74200000000002 g/mol | RDKit | |
| 184.047504626 g/mol | RDKit | |
| Density | 0.95 g/cm³ | CAS Common Chemistry |
| 0.949 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 75-76 °C @ Press: 15 Torr | CAS Common Chemistry |
| Canonical SMILES | Cl[Si](C)(C)CC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H13ClSi/c1-11(2,10)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=ABHNFDUSOVXXOA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | [(Chlorodimethylsilyl)methyl]benzene | 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 | 3.212200000000002 | RDKit |
| Molar Refractivity | 53.48100000000003 | RDKit |
