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Chlorine Dioxide
CAS: 10049-04-4 | ClO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10049-04-4
Molecular Formula:
ClO2
Molecular Weight:
67.45100000000001 g/mol
Names and Synonyms:
Chlorine Dioxide
Common Name
Vibrex
Synonym
Biosukegawa 1000
Synonym
RetarDEX (oxidizing agent)
Synonym
RetarDEX
Synonym
Aqua Care
Synonym
Alcide allay
Synonym
EZ Flow
Synonym
Alcide
Synonym
Chloryl radical
Synonym
Chlorine peroxide
Synonym
Clidox-S
Synonym
Selectrocide
Synonym
Ar-Dez Sniper
Synonym
FermaSure
Synonym
MicroClear
Synonym
OcuPure
Synonym
Oxine (bactericide)
Synonym
Purite
Synonym
Diklor
Synonym
Dura Klor
Synonym
Carnelron
Synonym
Purogene
Synonym
Doxcide 50
Synonym
Chloroperoxyl
Synonym
Chlorine dioxide
Synonym
Zns-Clordioxy
Synonym
Clidox
Synonym
RenNew D
Synonym
Chlorine dioxide (OClO)
Synonym
Anthium 200
Synonym
Biotalk
Synonym
Biologen
Synonym
Anthium Dioxcide
Synonym
Chlorine(IV) oxide
Synonym
Chlorine oxide (ClO2)
Synonym
Luxianfeng
Synonym
Dioxiclear
Synonym
Oxine
Synonym
Chlorine dioxide radical
Synonym
Oslon
Synonym
Identifiers:
SMILES:
[O][Cl+][O-]
InChI:
InChI=1S/ClO2/c2-1-3
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 |
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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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 67.45 g/mol | Legacy Database |
| density | 1.60 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Chlorine_dioxide None | Legacy Database |
| cas-boiling-point | 11 °C None | Legacy Database |
| cas-canonical-smile | [O]Cl=O None | Legacy Database |
| cas-density | 1.6 g/cm3 @ Temp: 0 °C None | Legacy Database |
| cas-inchi | InChI=1S/ClO2/c2-1-3 None | Legacy Database |
| cas-inchi-key | InChIKey=OSVXSBDYLRYLIG-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -59 °C None | Legacy Database |
| cas-name | Chlorine dioxide None | Legacy Database |
| wikipedia-name | Chlorine dioxide None | Legacy Database |
| LogP | -1.3078 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 67.45100000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 66.95868192 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 3 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 42.959999999999994 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 0.6865 | RDKit |