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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 Mass:
67.45 g/mol
Names and Synonyms:
Chlorine Dioxide
Chlorine oxide (ClO2)
Chlorine dioxide
Chlorine(IV) oxide
Chlorine peroxide
Chloroperoxyl
Doxcide 50
Chloryl radical
Anthium Dioxcide
Alcide
EZ Flow
Purogene
Alcide allay
Biologen
Biotalk
Oslon
Anthium 200
Carnelron
Dura Klor
Diklor
Chlorine dioxide (OClO)
Chlorine dioxide radical
RenNew D
Aqua Care
RetarDEX
RetarDEX (oxidizing agent)
Oxine
Biosukegawa 1000
Purite
Dioxiclear
Oxine (bactericide)
OcuPure
Clidox
MicroClear
Vibrex
Luxianfeng
Selectrocide
FermaSure
Clidox-S
Zns-Clordioxy
Ar-Dez Sniper
Identifiers:
SMILES:
[O][Cl+][O-]
InChI:
InChI=1S/ClO2/c2-1-3
Key Properties
Boiling Point
11 °C
CAS Common Chemistry
Melting Point
-59 °C
CAS Common Chemistry
Density
1.60 g/cm³
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 | 67.45 g/mol | CAS Common Chemistry |
| 67.45100000000001 g/mol | RDKit | |
| 66.95868192 g/mol | RDKit | |
| Density | 1.60 g/cm³ | CAS Common Chemistry |
| 1.6 g/cm3 @ Temp: 0 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Chlorine_dioxide | CAS Common Chemistry |
| Boiling Point | 11 °C | CAS Common Chemistry |
| Canonical SMILES | [O]Cl=O | CAS Common Chemistry |
| InChI | InChI=1S/ClO2/c2-1-3 | CAS Common Chemistry |
| InChI Key | InChIKey=OSVXSBDYLRYLIG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -59 °C | CAS Common Chemistry |
| Name | Chlorine dioxide | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 42.959999999999994 Ų | RDKit |
| LogP | -1.3078 | RDKit |
| Molar Refractivity | 0.6865 | RDKit |
