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2-Chloro-1,3,2-Dioxaphospholane
CAS: 822-39-9 | C2H4ClO2P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
822-39-9
Molecular Formula:
C2H4ClO2P
Molecular Weight:
126.479 g/mol
Names and Synonyms:
2-Chloro-1,3,2-Dioxaphospholane
1,3,2-Dioxaphospholane, 2-chloro-
Phosphorochloridous acid, cyclic ethylene ester
Ethylene phosphorochloridite
Ethylene glycol, cyclic phosphorochloridite
2-Chloro-1,3,2-dioxaphospholane
Ethylene chlorophosphite
Cyclic ethylene chlorophosphite
Cyclic ethylene phosphorochloridite
Cyclic O,O-ethylene phosphorochloridite
Ethylene glycol chlorophosphite
2-Chloro-2-oxa-1,3,2-dioxaphospholane
Identifiers:
SMILES:
ClP1OCCO1
InChI:
InChI=1S/C2H4ClO2P/c3-6-4-1-2-5-6/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 |
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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 | 126.479 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 125.963743678 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 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 | 18.46 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.4989 | RDKit |
| molecular_mass | 126.48 g/mol | Legacy Database |
| density | 1.42 g/cm³ | Legacy Database |
| cas-boiling-point | 66-68 °C @ Press: 47 Torr None | Legacy Database |
| cas-canonical-smile | ClP1OCCO1 None | Legacy Database |
| cas-density | 1.4199 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C2H4ClO2P/c3-6-4-1-2-5-6/h1-2H2 None | Legacy Database |
| cas-inchi-key | InChIKey=OLSFRDLMFAOSIA-UHFFFAOYSA-N None | Legacy Database |
| cas-name | 2-Chloro-1,3,2-dioxaphospholane None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 24.676999999999996 | RDKit |
