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Molecule
Trichloro(Dichloromethyl)Silane
CAS: 1558-24-3 · CHCl5Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1558-24-3
- Molecular Formula
- CHCl5Si
- Molecular Mass
- 218.37 g/mol
Identifiers
CAS Registry Number
1558-24-3
SMILES
ClC(Cl)[Si](Cl)(Cl)Cl
InChI Key
LQUJCRPJNSUWKY-UHFFFAOYSA-N
InChI
InChI=1S/CHCl5Si/c2-1(3)7(4,5)6/h1H
Names and Synonyms
- Trichloro(Dichloromethyl)Silane Common Name
- Silane, trichloro(dichloromethyl)- Synonym
- Trichloro(dichloromethyl)silane Synonym
- (Dichloromethyl)trichlorosilane Synonym
- NSC 139833 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 218.37 g/mol | CAS Common Chemistry |
| 218.355 g/mol | chempirical lib | |
| Density | 1.55 g/cm³ | CAS Common Chemistry |
| 1.5518 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 145 °C | CAS Common Chemistry |
| Canonical SMILES | ClC(Cl)[Si](Cl)(Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/CHCl5Si/c2-1(3)7(4,5)6/h1H | CAS Common Chemistry |
| InChI Key | InChIKey=LQUJCRPJNSUWKY-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Trichloro(dichloromethyl)silane | CAS Common Chemistry |
| Heavy Atom Count | 7 | 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 | 2.9846000000000004 | RDKit |
| 2.9846 | RDKit | |
| Molar Refractivity | 38.807 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 215.829014962 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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100
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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 = 218.37 g/mol; density = 1.550 g/mL. Edit any field — others recompute live.
