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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
Vibrex
Biosukegawa 1000
RetarDEX (oxidizing agent)
RetarDEX
Aqua Care
Alcide allay
EZ Flow
Alcide
Chloryl radical
Chlorine peroxide
Clidox-S
Selectrocide
Ar-Dez Sniper
FermaSure
MicroClear
OcuPure
Oxine (bactericide)
Purite
Diklor
Dura Klor
Carnelron
Purogene
Doxcide 50
Chloroperoxyl
Chlorine dioxide
Zns-Clordioxy
Clidox
RenNew D
Chlorine dioxide (OClO)
Anthium 200
Biotalk
Biologen
Anthium Dioxcide
Chlorine(IV) oxide
Chlorine oxide (ClO2)
Luxianfeng
Dioxiclear
Oxine
Chlorine dioxide radical
Oslon
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 |
|---|
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 |
