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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 Mass:
126.48 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
Key Properties
Boiling Point
66-68 °C @ Press: 47 Torr
CAS Common Chemistry
Density
1.42 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 | 126.48 g/mol | CAS Common Chemistry |
| 126.479 g/mol | RDKit | |
| 125.963743678 g/mol | RDKit | |
| Density | 1.42 g/cm³ | CAS Common Chemistry |
| 1.4199 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 66-68 °C @ Press: 47 Torr | CAS Common Chemistry |
| Canonical SMILES | ClP1OCCO1 | CAS Common Chemistry |
| InChI | InChI=1S/C2H4ClO2P/c3-6-4-1-2-5-6/h1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=OLSFRDLMFAOSIA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Chloro-1,3,2-dioxaphospholane | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 1.4989 | RDKit |
| Molar Refractivity | 24.676999999999996 | RDKit |
