Back to Search
Trimethylsilyl Chloride
CAS: 75-77-4 | C3H9ClSi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
75-77-4
Molecular Formula:
C3H9ClSi
Molecular Weight:
108.64399999999999 g/mol
Names and Synonyms:
Trimethylsilyl Chloride
TMSCl
LS 260
TMCS
NSC 15750
KA 31 (silane)
KA 31
Monochlorotrimethylsilane
TSL 8031
Trimethylsilane chloride
Monochlorotrimethylsilicon
Trimethylsilicon chloride
Trimethylsilyl chloride
Trimethylchlorosilane
Chlorotrimethylsilane
Silane, chlorotrimethyl-
Identifiers:
SMILES:
C[Si](C)(C)Cl
InChI:
InChI=1S/C3H9ClSi/c1-5(2,3)4/h1-3H3
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 | 108.64 g/mol | Legacy Database |
| density | 0.85 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Trimethylsilyl_chloride None | Legacy Database |
| cas-boiling-point | 57 °C None | Legacy Database |
| cas-canonical-smile | Cl[Si](C)(C)C None | Legacy Database |
| cas-density | 0.854 g/cm3 @ Temp: 25 °C None | Legacy Database |
| cas-inchi | InChI=1S/C3H9ClSi/c1-5(2,3)4/h1-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=IJOOHPMOJXWVHK-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -57.7 °C None | Legacy Database |
| cas-name | Chlorotrimethylsilane None | Legacy Database |
| wikipedia-name | Trimethylsilyl chloride None | Legacy Database |
| LogP | 2.0601 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 108.64399999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 108.016204498 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 | 29.198999999999987 | RDKit |
