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Bis(2-Oxo-3-Oxazolidinyl)Phosphinic Chloride
CAS: 68641-49-6 | C6H8ClN2O5P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
68641-49-6
Molecular Formula:
C6H8ClN2O5P
Molecular Mass:
254.57 g/mol
Names and Synonyms:
Bis(2-Oxo-3-Oxazolidinyl)Phosphinic Chloride
Phosphinic chloride, P,P-bis(2-oxo-3-oxazolidinyl)-
Phosphinic chloride, bis(2-oxo-3-oxazolidinyl)-
P,P-Bis(2-oxo-3-oxazolidinyl)phosphinic chloride
BOP-Cl
Bis(2-oxo-3-oxazolidinyl)phosphinic chloride
BOPDC
NSC 377647
Bis(2-oxo-3-oxazolidinyl)phosphoryl chloride
Identifiers:
SMILES:
O=C1OCCN1P(=O)(Cl)N1CCOC1=O
InChI:
InChI=1S/C6H8ClN2O5P/c7-15(12,8-1-3-13-5(8)10)9-2-4-14-6(9)11/h1-4H2
Key Properties
Melting Point
191-193 °C
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 | 254.57 g/mol | CAS Common Chemistry |
| 254.56599999999997 g/mol | RDKit | |
| 253.985935666 g/mol | RDKit | |
| Canonical SMILES | O=C1OCCN1P(=O)(Cl)N2C(=O)OCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C6H8ClN2O5P/c7-15(12,8-1-3-13-5(8)10)9-2-4-14-6(9)11/h1-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KLDLRDSRCMJKGM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 191-193 °C | CAS Common Chemistry |
| Name | Bis(2-oxo-3-oxazolidinyl)phosphinic chloride | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 76.15 Ų | RDKit |
| LogP | 1.2377 | RDKit |
| Molar Refractivity | 49.56750000000002 | RDKit |
