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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
Names and Synonyms:
Methyltrichlorosilane
Silane, trichloromethyl-
Trichloromethylsilane
Methyltrichlorosilane
Methylsilyl trichloride
Trichloromethylsilicon
Methylsilicon trichloride
TSL 8003
LS 40
LS 40 (silane)
KA 13
NSC 77069
A 154
A 154 (silane)
Identifiers:
SMILES:
C[Si](Cl)(Cl)Cl
InChI:
InChI=1S/CH3Cl3Si/c1-5(2,3)4/h1H3
Key Properties
Boiling Point
66.4 °C
CAS Common Chemistry
Melting Point
-90 °C
CAS Common Chemistry
Density
1.27 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 | 149.48 g/mol | CAS Common Chemistry |
| 149.48000000000002 g/mol | RDKit | |
| 147.906959666 g/mol | RDKit | |
| Density | 1.27 g/cm³ | CAS Common Chemistry |
| 1.27 g/cm3 @ Temp: 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 |
| Methyltrichlorosilane | 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 |
| Molar Refractivity | 29.176999999999996 | RDKit |
