Back to Search
2-Chloro-2-Oxo-1,3,2-Dioxaphospholane
CAS: 6609-64-9 | C2H4ClO3P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6609-64-9
Molecular Formula:
C2H4ClO3P
Molecular Weight:
142.478 g/mol
Names and Synonyms:
2-Chloro-2-Oxo-1,3,2-Dioxaphospholane
1,3,2-Dioxaphospholane, 2-chloro-, 2-oxide
Phosphorochloridic acid, cyclic ethylene ester
Ethylene phosphorochloridate
2-Chloro-2-oxo-1,3,2-dioxaphospholane
Cyclic ethylene phosphorochloridate
Ethylene chlorophosphate
2-Chloro-1,3,2-dioxaphospholane 2-oxide
2-Chloro-2-oxido-1,3,2-dioxaphospholane
2-Chloro-1,3,2λ5-dioxaphospholan-2-one
Identifiers:
SMILES:
O=P1(Cl)OCCO1
InChI:
InChI=1S/C2H4ClO3P/c3-7(4)5-1-2-6-7/h1-2H2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| cas-canonical-smile | O=P1(Cl)OCCO1 None | Legacy Database |
| molecular_mass | 142.48 g/mol | Legacy Database |
| cas-boiling-point | 89-91 °C @ Press: 0.8 Torr None | Legacy Database |
| cas-inchi | InChI=1S/C2H4ClO3P/c3-7(4)5-1-2-6-7/h1-2H2 None | Legacy Database |
| cas-inchi-key | InChIKey=SBMUNILHNJLMBF-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 2-Chloro-2-oxo-1,3,2-dioxaphospholane None | Legacy Database |
| LogP | 1.3800999999999999 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 142.478 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 141.958658298 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 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 | 35.53 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 25.363499999999995 | RDKit |
