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Dichloromethylphenylsilane
CAS: 149-74-6 | C7H8Cl2Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
149-74-6
Molecular Formula:
C7H8Cl2Si
Molecular Mass:
191.13 g/mol
Names and Synonyms:
Dichloromethylphenylsilane
Benzene, (dichloromethylsilyl)-
Silane, dichloromethylphenyl-
(Dichloromethylsilyl)benzene
Dichloromethylphenylsilane
Phenylmethyldichlorosilane
Methylphenyldichlorosilane
Phenyldichloro(methyl)silane
Dichlorophenylmethylsilane
LS 1490
TSL 8067
NSC 96621
Identifiers:
SMILES:
C[Si](Cl)(Cl)c1ccccc1
InChI:
InChI=1S/C7H8Cl2Si/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3
Key Properties
Boiling Point
206.5 °C
CAS Common Chemistry
Melting Point
-53 °C
CAS Common Chemistry
Density
1.19 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 | 191.13 g/mol | CAS Common Chemistry |
| 191.13300000000004 g/mol | RDKit | |
| 189.977232146 g/mol | RDKit | |
| Density | 1.19 g/cm³ | CAS Common Chemistry |
| 1.1866 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 206.5 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[Si](Cl)(C=1C=CC=CC1)C | CAS Common Chemistry |
| InChI | InChI=1S/C7H8Cl2Si/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=GNEPOXWQWFSSOU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -53 °C | CAS Common Chemistry |
| Name | Dichloromethylphenylsilane | 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 | 2.4432 | RDKit |
| Molar Refractivity | 49.40000000000002 | RDKit |
