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Chlorine Perchlorate
CAS: 27218-16-2 | Cl2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
27218-16-2
Molecular Formula:
Cl2O4
Molecular Weight:
134.902 g/mol
Names and Synonyms:
Chlorine Perchlorate
(Chlorooxy)chlorane trioxide
Chlorine chlorate oxide [Cl(ClO3)O]
Chlorine perchlorate
Chlorine oxide (Cl2O4)
Chlorine perchlorate (Cl(ClO4))
Identifiers:
SMILES:
[O-][Cl+3]([O-])([O-])OCl
InChI:
InChI=1S/Cl2O4/c1-6-2(3,4)5
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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8
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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40
20
0 ppm
| 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.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 134.902 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 133.91736384 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 78.41 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -2.9459 | RDKit |
| molecular_mass | 134.90 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Chlorine_perchlorate None | Legacy Database |
| cas-canonical-smile | O=Cl(=O)(=O)OCl None | Legacy Database |
| cas-inchi | InChI=1S/Cl2O4/c1-6-2(3,4)5 None | Legacy Database |
| cas-inchi-key | InChIKey=JRONPIZRZBBOBR-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Chlorine perchlorate (Cl(ClO4)) None | Legacy Database |
| wikipedia-name | Chlorine perchlorate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 6.938 | RDKit |
