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Molecule
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 Mass
- 115.04 g/mol
Identifiers
CAS Registry Number
75-54-7
SMILES
C[SiH](Cl)Cl
InChI Key
NWKBSEBOBPHMKL-UHFFFAOYSA-N
InChI
InChI=1S/CH4Cl2Si/c1-4(2)3/h4H,1H3
Names and Synonyms
- Methyldichlorosilane Common Name
- Silane, dichloromethyl- Synonym
- Methylsilicon dichloride Synonym
- Dichloromethylsilane Synonym
- Methyldichlorosilane Synonym
- Dichlorohydridomethylsilicon Synonym
- Monomethyldichlorosilane Synonym
- LS 50 Synonym
- Methylhydrodichlorosilane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 115.04 g/mol | CAS Common Chemistry |
| 115.035 g/mol | RDKit | |
| 115.029 g/mol | chempirical lib | |
| Density | 1.10 g/cm³ | CAS Common Chemistry |
| 1.10 g/cm3 @ 27 °C | CAS Common Chemistry | |
| Boiling Point | 41 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[SiH](Cl)C | CAS Common Chemistry |
| InChI | InChI=1S/CH4Cl2Si/c1-4(2)3/h4H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NWKBSEBOBPHMKL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -93 °C | CAS Common Chemistry |
| Name | Methyldichlorosilane | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.3143 | RDKit |
| Molar Refractivity | 24.718999999999994 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 113.945932018 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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.
External Resources
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MW = 115.04 g/mol; density = 1.100 g/mL. Edit any field — others recompute live.
