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Dichloroglyoxime
CAS: 2038-44-0 | C2H2Cl2N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2038-44-0
Molecular Formula:
C2H2Cl2N2O2
Molecular Mass:
156.96 g/mol
Names and Synonyms:
Dichloroglyoxime
Ethanediimidoyl dichloride, N1,N2-dihydroxy-
Glyoxime, dichloro-
Oxalohydroximoyl chloride
Ethanediimidoyl dichloride, dihydroxy-
N1,N2-Dihydroxyethanediimidoyl dichloride
Oxalyl chloride, dioxime
Ethanedioyl dichloride, dioxime
Dichloroglyoxime
1,2-Dichloroglyoxime
NSC 528431
DCO
Identifiers:
SMILES:
ON=C(Cl)C(Cl)=NO
InChI:
InChI=1S/C2H2Cl2N2O2/c3-1(5-7)2(4)6-8/h7-8H
Key Properties
Melting Point
201 °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 | 156.96 g/mol | CAS Common Chemistry |
| 156.95600000000002 g/mol | RDKit | |
| 155.949332664 g/mol | RDKit | |
| Canonical SMILES | ClC(=NO)C(Cl)=NO | CAS Common Chemistry |
| InChI | InChI=1S/C2H2Cl2N2O2/c3-1(5-7)2(4)6-8/h7-8H | CAS Common Chemistry |
| InChI Key | InChIKey=KTQVJAPIQPIIPF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 201 °C | CAS Common Chemistry |
| Name | Dichloroglyoxime | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 65.18 Ų | RDKit |
| LogP | 1.0393999999999999 | RDKit |
| Molar Refractivity | 30.149000000000004 | RDKit |
