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Chlorodimethylphenylsilane
CAS: 768-33-2 | C8H11ClSi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
768-33-2
Molecular Formula:
C8H11ClSi
Molecular Mass:
170.71 g/mol
Names and Synonyms:
Chlorodimethylphenylsilane
Benzene, (chlorodimethylsilyl)-
Silane, chlorodimethylphenyl-
(Chlorodimethylsilyl)benzene
Dimethylphenylchlorosilane
Chlorodimethylphenylsilane
Phenyldimethylchlorosilane
Dimethylphenylsilyl chloride
Phenyldimethylsilyl chloride
NSC 95425
Phenylchlorodimethylsilane
LS 2000
Identifiers:
SMILES:
C[Si](C)(Cl)c1ccccc1
InChI:
InChI=1S/C8H11ClSi/c1-10(2,9)8-6-4-3-5-7-8/h3-7H,1-2H3
Key Properties
Boiling Point
80-84 °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 | 170.71 g/mol | CAS Common Chemistry |
| 170.715 g/mol | RDKit | |
| 170.031854562 g/mol | RDKit | |
| Density | 1.03 g/cm³ | CAS Common Chemistry |
| 1.032 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 80-84 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[Si](C=1C=CC=CC1)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H11ClSi/c1-10(2,9)8-6-4-3-5-7-8/h3-7H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KWYZNESIGBQHJK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Chlorodimethylphenylsilane | 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 | 2.3375000000000004 | RDKit |
| Molar Refractivity | 49.41100000000003 | RDKit |
