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Molecule
Methyltrichlorosilane
CAS: 75-79-6 · CH3Cl3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 75-79-6
- Molecular Formula
- CH3Cl3Si
- Molecular Mass
- 149.48 g/mol
Identifiers
CAS Registry Number
75-79-6
SMILES
C[Si](Cl)(Cl)Cl
InChI Key
JLUFWMXJHAVVNN-UHFFFAOYSA-N
InChI
InChI=1S/CH3Cl3Si/c1-5(2,3)4/h1H3
Names and Synonyms
- Methyltrichlorosilane Common Name
- Silane, trichloromethyl- Synonym
- Trichloromethylsilane Synonym
- Methyltrichlorosilane Synonym
- Methylsilyl trichloride Synonym
- Trichloromethylsilicon Synonym
- Methylsilicon trichloride Synonym
- TSL 8003 Synonym
- LS 40 Synonym
- LS 40 (silane) Synonym
- KA 13 Synonym
- NSC 77069 Synonym
- A 154 Synonym
- A 154 (silane) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 149.48 g/mol | CAS Common Chemistry |
| 149.48000000000002 g/mol | RDKit | |
| 149.471 g/mol | chempirical lib | |
| Density | 1.27 g/cm³ | CAS Common Chemistry |
| 1.27 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Methyltrichlorosilane | CAS Common Chemistry |
| Boiling Point | 66.4 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[Si](Cl)(Cl)C | CAS Common Chemistry |
| InChI | InChI=1S/CH3Cl3Si/c1-5(2,3)4/h1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JLUFWMXJHAVVNN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -90 °C | CAS Common Chemistry |
| Name | Trichloromethylsilane | CAS Common Chemistry |
| Heavy Atom Count | 5 | 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 | 2.2715000000000005 | RDKit |
| 2.2715 | RDKit | |
| Molar Refractivity | 29.176999999999996 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 147.906959666 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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Quick conversion
MW = 149.48 g/mol; density = 1.270 g/mL. Edit any field — others recompute live.
