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[(Chloromethyl)Dimethylsilyl]Benzene
CAS: 1833-51-8 | C9H13ClSi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1833-51-8
Molecular Formula:
C9H13ClSi
Molecular Mass:
184.74 g/mol
Names and Synonyms:
[(Chloromethyl)Dimethylsilyl]Benzene
Benzene, [(chloromethyl)dimethylsilyl]-
Silane, (chloromethyl)dimethylphenyl-
[(Chloromethyl)dimethylsilyl]benzene
(Chloromethyl)dimethylphenylsilane
Phenyldimethyl(chloromethyl)silane
Chloromethylphenyldimethylsilane
Dimethylphenylsilylmethyl chloride
Dimethyl(chloromethyl)phenylsilane
NSC 155366
Identifiers:
SMILES:
C[Si](C)(CCl)c1ccccc1
InChI:
InChI=1S/C9H13ClSi/c1-11(2,8-10)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
Key Properties
Boiling Point
225 °C
CAS Common Chemistry
Density
1.03 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 | 1.03 g/cm³ | CAS Common Chemistry |
| 1.031 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 225 °C | CAS Common Chemistry |
| Canonical SMILES | ClC[Si](C=1C=CC=CC1)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H13ClSi/c1-11(2,8-10)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RJCTVFQQNCNBHG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | [(Chloromethyl)dimethylsilyl]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 | 2.380000000000001 | RDKit |
| Molar Refractivity | 54.278000000000034 | RDKit |
