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1,1-Dichlorosilacyclobutane
CAS: 2351-33-9 | C3H6Cl2Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2351-33-9
Molecular Formula:
C3H6Cl2Si
Molecular Mass:
141.07 g/mol
Names and Synonyms:
1,1-Dichlorosilacyclobutane
Silacyclobutane, 1,1-dichloro-
1,1-Dichlorosilacyclobutane
1,1-Dichloro-1-silacyclobutane
Cyclotrimethylenedichlorosilane
1,1-Dichlorosiletane
Identifiers:
SMILES:
Cl[Si]1(Cl)CCC1
InChI:
InChI=1S/C3H6Cl2Si/c4-6(5)2-1-3-6/h1-3H2
Key Properties
Boiling Point
113-114 °C
CAS Common Chemistry
Density
1.20 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 | 141.07 g/mol | CAS Common Chemistry |
| 141.073 g/mol | RDKit | |
| 139.961582082 g/mol | RDKit | |
| Density | 1.20 g/cm³ | CAS Common Chemistry |
| 1.201 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 113-114 °C | CAS Common Chemistry |
| Canonical SMILES | Cl[Si]1(Cl)CCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C3H6Cl2Si/c4-6(5)2-1-3-6/h1-3H2 | CAS Common Chemistry |
| InChI Key | InChIKey=PASYEMKYRSIVTP-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1-Dichlorosilacyclobutane | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.3099 | RDKit |
| Molar Refractivity | 31.690999999999995 | RDKit |
