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(3-Chloropropyl)Trichlorosilane
CAS: 2550-06-3 | C3H6Cl4Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2550-06-3
Molecular Formula:
C3H6Cl4Si
Molecular Mass:
211.98 g/mol
Names and Synonyms:
(3-Chloropropyl)Trichlorosilane
Silane, trichloro(3-chloropropyl)-
Trichloro(3-chloropropyl)silane
(γ-Chloropropyl)trichlorosilane
(3-Chloropropyl)trichlorosilane
NSC 139831
1-Chloro-3-(trichlorosilyl)propane
Identifiers:
SMILES:
ClCCC[Si](Cl)(Cl)Cl
InChI:
InChI=1S/C3H6Cl4Si/c4-2-1-3-8(5,6)7/h1-3H2
Key Properties
Boiling Point
181.5 °C
CAS Common Chemistry
Density
1.36 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 | 211.98 g/mol | CAS Common Chemistry |
| 211.979 g/mol | RDKit | |
| 209.899287442 g/mol | RDKit | |
| Density | 1.36 g/cm³ | CAS Common Chemistry |
| 1.359 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 181.5 °C | CAS Common Chemistry |
| Canonical SMILES | ClCCC[Si](Cl)(Cl)Cl | CAS Common Chemistry |
| InChI | InChI=1S/C3H6Cl4Si/c4-2-1-3-8(5,6)7/h1-3H2 | CAS Common Chemistry |
| InChI Key | InChIKey=OOXSLJBUMMHDKW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (3-Chloropropyl)trichlorosilane | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.270600000000001 | RDKit |
| Molar Refractivity | 43.457000000000015 | RDKit |
