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Molecule
2-Chloro-2-Oxo-1,3,2-Dioxaphospholane
CAS: 6609-64-9 · C2H4ClO3P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6609-64-9
- Molecular Formula
- C2H4ClO3P
- Molecular Mass
- 142.48 g/mol
Identifiers
CAS Registry Number
6609-64-9
SMILES
O=P1(Cl)OCCO1
InChI Key
SBMUNILHNJLMBF-UHFFFAOYSA-N
InChI
InChI=1S/C2H4ClO3P/c3-7(4)5-1-2-6-7/h1-2H2
Names and Synonyms
- 2-Chloro-2-Oxo-1,3,2-Dioxaphospholane Synonym
- 1,3,2-Dioxaphospholane, 2-chloro-, 2-oxide Synonym
- Phosphorochloridic acid, cyclic ethylene ester Synonym
- Ethylene phosphorochloridate Synonym
- 2-Chloro-2-oxo-1,3,2-dioxaphospholane Synonym
- Cyclic ethylene phosphorochloridate Synonym
- Ethylene chlorophosphate Synonym
- 2-Chloro-1,3,2-dioxaphospholane 2-oxide Synonym
- 2-Chloro-2-oxido-1,3,2-dioxaphospholane Synonym
- 2-Chloro-1,3,2λ5-dioxaphospholan-2-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 142.48 g/mol | CAS Common Chemistry |
| 142.478 g/mol | RDKit | |
| 142.475 g/mol | chempirical lib | |
| Canonical SMILES | O=P1(Cl)OCCO1 | CAS Common Chemistry |
| InChI | InChI=1S/C2H4ClO3P/c3-7(4)5-1-2-6-7/h1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=SBMUNILHNJLMBF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Chloro-2-oxo-1,3,2-dioxaphospholane | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 1.3800999999999999 | RDKit |
| 1.3801 | RDKit | |
| Molar Refractivity | 25.363499999999995 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 141.958658298 g/mol | RDKit |
| Boiling Point | 89-91 °C @ 0.8 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| 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.
External Resources
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MW = 142.48 g/mol. Edit any field — others recompute live.
