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Molecule
(Trimethylsilyl)Methyl Chloride
CAS: 2344-80-1 · C4H11ClSi
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2344-80-1
- Molecular Formula
- C4H11ClSi
- Molecular Mass
- 122.67 g/mol
Identifiers
CAS Registry Number
2344-80-1
SMILES
C[Si](C)(C)CCl
InChI Key
OOCUOKHIVGWCTJ-UHFFFAOYSA-N
InChI
InChI=1S/C4H11ClSi/c1-6(2,3)4-5/h4H2,1-3H3
Names and Synonyms
- (Trimethylsilyl)Methyl Chloride Common Name
- Silane, (chloromethyl)trimethyl- Synonym
- (Chloromethyl)trimethylsilane Synonym
- Trimethyl(chloromethyl)silane Synonym
- (Trimethylsilyl)methyl chloride Synonym
- Chloro(trimethylsilyl)methane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 122.67 g/mol | CAS Common Chemistry |
| 122.67099999999999 g/mol | RDKit | |
| 122.671 g/mol | RDKit | |
| 122.668 g/mol | chempirical lib | |
| Density | 0.89 g/cm³ | CAS Common Chemistry |
| 0.886 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/(Trimethylsilyl)methyl_chloride | CAS Common Chemistry |
| Boiling Point | 98.5 °C | CAS Common Chemistry |
| Canonical SMILES | ClC[Si](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H11ClSi/c1-6(2,3)4-5/h4H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=OOCUOKHIVGWCTJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (Chloromethyl)trimethylsilane | CAS Common Chemistry |
| (Trimethylsilyl)methyl chloride | CAS Common Chemistry | |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.1026 | RDKit |
| Molar Refractivity | 34.06599999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 122.03185456199999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 122.67 g/mol; density = 0.890 g/mL. Edit any field — others recompute live.
