Back to Search
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 Weight:
141.073 g/mol
Names and Synonyms:
1,1-Dichlorosilacyclobutane
1,1-Dichlorosiletane
Cyclotrimethylenedichlorosilane
1,1-Dichloro-1-silacyclobutane
1,1-Dichlorosilacyclobutane
Silacyclobutane, 1,1-dichloro-
Identifiers:
SMILES:
Cl[Si]1(Cl)CCC1
InChI:
InChI=1S/C3H6Cl2Si/c4-6(5)2-1-3-6/h1-3H2
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 141.073 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 139.961582082 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 2.3099 | RDKit |
| molecular_mass | 141.07 g/mol | Legacy Database |
| density | 1.20 g/cm³ | Legacy Database |
| cas-boiling-point | 113-114 °C None | Legacy Database |
| cas-canonical-smile | Cl[Si]1(Cl)CCC1 None | Legacy Database |
| cas-density | 1.201 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C3H6Cl2Si/c4-6(5)2-1-3-6/h1-3H2 None | Legacy Database |
| cas-inchi-key | InChIKey=PASYEMKYRSIVTP-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 1,1-Dichlorosilacyclobutane None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 31.690999999999995 | RDKit |
