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Methyldichlorosilane
CAS: 75-54-7 | CH4Cl2Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
75-54-7
Molecular Formula:
CH4Cl2Si
Molecular Weight:
115.035 g/mol
Names and Synonyms:
Methyldichlorosilane
Methylhydrodichlorosilane
LS 50
Monomethyldichlorosilane
Dichlorohydridomethylsilicon
Methyldichlorosilane
Dichloromethylsilane
Methylsilicon dichloride
Silane, dichloromethyl-
Identifiers:
SMILES:
C[SiH](Cl)Cl
InChI:
InChI=1S/CH4Cl2Si/c1-4(2)3/h4H,1H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 115.04 g/mol | Legacy Database |
| density | 1.10 g/cm³ | Legacy Database |
| cas-boiling-point | 41 °C None | Legacy Database |
| cas-canonical-smile | Cl[SiH](Cl)C None | Legacy Database |
| cas-density | 1.10 g/cm3 @ Temp: 27 °C None | Legacy Database |
| cas-inchi | InChI=1S/CH4Cl2Si/c1-4(2)3/h4H,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=NWKBSEBOBPHMKL-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -93 °C None | Legacy Database |
| cas-name | Methyldichlorosilane None | Legacy Database |
| LogP | 1.3143 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 115.035 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 113.945932018 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 24.718999999999994 | RDKit |
