Back to Search
Dichloro(Chloromethyl)Methylsilane
CAS: 1558-33-4 | C2H5Cl3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1558-33-4
Molecular Formula:
C2H5Cl3Si
Molecular Mass:
163.51 g/mol
Names and Synonyms:
Dichloro(Chloromethyl)Methylsilane
Silane, dichloro(chloromethyl)methyl-
Dichloro(chloromethyl)methylsilane
Methyl(chloromethyl)dichlorosilane
(Chloromethyl)dichloromethylsilane
(Chloromethyl)methyldichlorosilane
Methyldichloro(chloromethyl)silane
LS 110
Identifiers:
SMILES:
C[Si](Cl)(Cl)CCl
InChI:
InChI=1S/C2H5Cl3Si/c1-6(4,5)2-3/h2H2,1H3
Key Properties
Boiling Point
121.5 °C
CAS Common Chemistry
Melting Point
120.5-121.5 °C
CAS Common Chemistry
Density
1.29 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 | 163.51 g/mol | CAS Common Chemistry |
| 163.507 g/mol | RDKit | |
| 161.92260973 g/mol | RDKit | |
| Density | 1.29 g/cm³ | CAS Common Chemistry |
| 1.285 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 121.5 °C | CAS Common Chemistry |
| Canonical SMILES | ClC[Si](Cl)(Cl)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H5Cl3Si/c1-6(4,5)2-3/h2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JAYBZWYBCUJLNQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 120.5-121.5 °C | CAS Common Chemistry |
| Name | Dichloro(chloromethyl)methylsilane | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.314 | RDKit |
| Molar Refractivity | 34.044 | RDKit |
