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Molecule
2-Chloro-1,3,2-Dioxaphospholane
CAS: 822-39-9 · C2H4ClO2P
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 822-39-9
- Molecular Formula
- C2H4ClO2P
- Molecular Mass
- 126.48 g/mol
Identifiers
CAS Registry Number
822-39-9
SMILES
ClP1OCCO1
InChI Key
OLSFRDLMFAOSIA-UHFFFAOYSA-N
InChI
InChI=1S/C2H4ClO2P/c3-6-4-1-2-5-6/h1-2H2
Names and Synonyms
- 2-Chloro-1,3,2-Dioxaphospholane Synonym
- 1,3,2-Dioxaphospholane, 2-chloro- Synonym
- Phosphorochloridous acid, cyclic ethylene ester Synonym
- Ethylene phosphorochloridite Synonym
- Ethylene glycol, cyclic phosphorochloridite Synonym
- 2-Chloro-1,3,2-dioxaphospholane Synonym
- Ethylene chlorophosphite Synonym
- Cyclic ethylene chlorophosphite Synonym
- Cyclic ethylene phosphorochloridite Synonym
- Cyclic O,O-ethylene phosphorochloridite Synonym
- Ethylene glycol chlorophosphite Synonym
- 2-Chloro-2-oxa-1,3,2-dioxaphospholane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 126.48 g/mol | CAS Common Chemistry |
| 126.479 g/mol | RDKit | |
| 126.476 g/mol | chempirical lib | |
| Density | 1.42 g/cm³ | CAS Common Chemistry |
| 1.4199 g/cm3 @ 20 °C | 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 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 125.963743678 g/mol | RDKit |
| Boiling Point | 66-68 °C @ 47 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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 = 126.48 g/mol; density = 1.420 g/mL. Edit any field — others recompute live.
