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(Trimethylsilyl)Methyl Chloride
CAS: 2344-80-1 | C4H11ClSi
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2344-80-1
Molecular Formula:
C4H11ClSi
Molecular Weight:
122.67099999999999 g/mol
Names and Synonyms:
(Trimethylsilyl)Methyl Chloride
Chloro(trimethylsilyl)methane
(Trimethylsilyl)methyl chloride
Trimethyl(chloromethyl)silane
(Chloromethyl)trimethylsilane
Silane, (chloromethyl)trimethyl-
Identifiers:
SMILES:
C[Si](C)(C)CCl
InChI:
InChI=1S/C4H11ClSi/c1-6(2,3)4-5/h4H2,1-3H3
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 122.67099999999999 g/mol | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 122.67 g/mol | Legacy Database |
| density | 0.89 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/(Trimethylsilyl)methyl_chloride None | Legacy Database |
| cas-boiling-point | 98.5 °C None | Legacy Database |
| cas-canonical-smile | ClC[Si](C)(C)C None | Legacy Database |
| cas-density | 0.886 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C4H11ClSi/c1-6(2,3)4-5/h4H2,1-3H3 None | Legacy Database |
| cas-inchi-key | InChIKey=OOCUOKHIVGWCTJ-UHFFFAOYSA-N None | Legacy Database |
| cas-name | (Chloromethyl)trimethylsilane None | Legacy Database |
| wikipedia-name | (Trimethylsilyl)methyl chloride None | Legacy Database |
| LogP | 2.1026 | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 122.03185456199999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 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 | 34.06599999999999 | RDKit |
