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Molecule
Trichloro(Chloromethyl)Silane
CAS: 1558-25-4 · CH2Cl4Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1558-25-4
- Molecular Formula
- CH2Cl4Si
- Molecular Mass
- 183.93 g/mol
Identifiers
CAS Registry Number
1558-25-4
SMILES
ClC[Si](Cl)(Cl)Cl
InChI Key
FYTPGBJPTDQJCG-UHFFFAOYSA-N
InChI
InChI=1S/CH2Cl4Si/c2-1-6(3,4)5/h1H2
Names and Synonyms
- Trichloro(Chloromethyl)Silane Synonym
- Silane, trichloro(chloromethyl)- Synonym
- Trichloro(chloromethyl)silane Synonym
- (Chloromethyl)trichlorosilane Synonym
- NSC 139830 Synonym
- LS 30 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 183.93 g/mol | CAS Common Chemistry |
| 183.925 g/mol | RDKit | |
| 183.913 g/mol | chempirical lib | |
| 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 |
| 2.4197 | RDKit | |
| Molar Refractivity | 34.03300000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 181.867987314 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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 = 183.93 g/mol; density = 1.470 g/mL. Edit any field — others recompute live.
