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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 Weight:
149.48000000000002 g/mol
Names and Synonyms:
Methyltrichlorosilane
A 154 (silane)
A 154
NSC 77069
KA 13
LS 40 (silane)
LS 40
TSL 8003
Methylsilicon trichloride
Trichloromethylsilicon
Methylsilyl trichloride
Methyltrichlorosilane
Trichloromethylsilane
Silane, trichloromethyl-
Identifiers:
SMILES:
C[Si](Cl)(Cl)Cl
InChI:
InChI=1S/CH3Cl3Si/c1-5(2,3)4/h1H3
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 |
|---|---|---|
| density | 1.27 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Methyltrichlorosilane None | Legacy Database |
| cas-boiling-point | 66.4 °C None | Legacy Database |
| cas-canonical-smile | Cl[Si](Cl)(Cl)C None | Legacy Database |
| cas-density | 1.27 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=1S/CH3Cl3Si/c1-5(2,3)4/h1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=JLUFWMXJHAVVNN-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -90 °C None | Legacy Database |
| cas-name | Trichloromethylsilane None | Legacy Database |
| wikipedia-name | Methyltrichlorosilane None | Legacy Database |
| molecular_mass | 149.48 g/mol | Legacy Database |
| LogP | 2.2715000000000005 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 149.48000000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 147.906959666 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 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 | 29.176999999999996 | RDKit |
