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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 Mass:
108.64 g/mol
Names and Synonyms:
Trimethylsilyl Chloride
Silane, chlorotrimethyl-
Chlorotrimethylsilane
Trimethylchlorosilane
Trimethylsilyl chloride
Trimethylsilicon chloride
Monochlorotrimethylsilicon
Trimethylsilane chloride
TSL 8031
Monochlorotrimethylsilane
KA 31
KA 31 (silane)
NSC 15750
TMCS
LS 260
TMSCl
Identifiers:
SMILES:
C[Si](C)(C)Cl
InChI:
InChI=1S/C3H9ClSi/c1-5(2,3)4/h1-3H3
Key Properties
Boiling Point
57 °C
CAS Common Chemistry
Melting Point
-57.7 °C
CAS Common Chemistry
Density
0.85 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 | 108.64 g/mol | CAS Common Chemistry |
| 108.64399999999999 g/mol | RDKit | |
| 108.016204498 g/mol | RDKit | |
| Density | 0.85 g/cm³ | CAS Common Chemistry |
| 0.854 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Trimethylsilyl_chloride | CAS Common Chemistry |
| Boiling Point | 57 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[Si](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H9ClSi/c1-5(2,3)4/h1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=IJOOHPMOJXWVHK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -57.7 °C | CAS Common Chemistry |
| Name | Chlorotrimethylsilane | CAS Common Chemistry |
| Trimethylsilyl chloride | 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 | 2.0601 | RDKit |
| Molar Refractivity | 29.198999999999987 | RDKit |
