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Trichloro(Chloromethyl)Silane
CAS: 1558-25-4 | CH2Cl4Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1558-25-4
Molecular Formula:
CH2Cl4Si
Molecular Mass:
183.93 g/mol
Names and Synonyms:
Trichloro(Chloromethyl)Silane
Silane, trichloro(chloromethyl)-
Trichloro(chloromethyl)silane
(Chloromethyl)trichlorosilane
NSC 139830
LS 30
Identifiers:
SMILES:
ClC[Si](Cl)(Cl)Cl
InChI:
InChI=1S/CH2Cl4Si/c2-1-6(3,4)5/h1H2
Key Properties
Boiling Point
118 °C
CAS Common Chemistry
Density
1.47 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 | 183.93 g/mol | CAS Common Chemistry |
| 183.925 g/mol | RDKit | |
| 181.867987314 g/mol | RDKit | |
| Density | 1.47 g/cm³ | CAS Common Chemistry |
| 1.465 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Trichloro(chloromethyl)silane | CAS Common Chemistry |
| Boiling Point | 118 °C | CAS Common Chemistry |
| Canonical SMILES | ClC[Si](Cl)(Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/CH2Cl4Si/c2-1-6(3,4)5/h1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FYTPGBJPTDQJCG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Trichloro(chloromethyl)silane | 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 | 2.4197000000000006 | RDKit |
| Molar Refractivity | 34.03300000000001 | RDKit |
