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Cyclopentyltrichlorosilane
CAS: 14579-03-4 | C5H9Cl3Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
14579-03-4
Molecular Formula:
C5H9Cl3Si
Molecular Mass:
203.57 g/mol
Names and Synonyms:
Cyclopentyltrichlorosilane
Cyclopentane, (trichlorosilyl)-
Silane, trichlorocyclopentyl-
(Trichlorosilyl)cyclopentane
Cyclopentyltrichlorosilane
Identifiers:
SMILES:
Cl[Si](Cl)(Cl)C1CCCC1
InChI:
InChI=1S/C5H9Cl3Si/c6-9(7,8)5-3-1-2-4-5/h5H,1-4H2
Key Properties
Boiling Point
178-179 °C
CAS Common Chemistry
Density
1.23 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 | 203.57 g/mol | CAS Common Chemistry |
| 203.57199999999995 g/mol | RDKit | |
| 201.953909858 g/mol | RDKit | |
| Density | 1.23 g/cm³ | CAS Common Chemistry |
| 1.225 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 178-179 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[Si](Cl)(Cl)C1CCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H9Cl3Si/c6-9(7,8)5-3-1-2-4-5/h5H,1-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FCMZRNUHEXJWGB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Cyclopentyltrichlorosilane | CAS Common Chemistry |
| Heavy Atom Count | 9 | 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 | 3.5859000000000014 | RDKit |
| Molar Refractivity | 45.53100000000002 | RDKit |
