Back to Search
Molecule
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
Identifiers
CAS Registry Number
10049-04-4
SMILES
[O][Cl+][O-]
InChI Key
OSVXSBDYLRYLIG-UHFFFAOYSA-N
InChI
InChI=1S/ClO2/c2-1-3
Names and Synonyms
- Chlorine Dioxide Common Name
- Doxcide 50 Synonym
- Chloryl radical Synonym
- Chlorine oxide (ClO2) Synonym
- Chlorine dioxide Synonym
- Chlorine(IV) oxide Synonym
- Chlorine peroxide Synonym
- Chloroperoxyl Synonym
- Anthium Dioxcide Synonym
- Alcide Synonym
- EZ Flow Synonym
- Purogene Synonym
- Alcide allay Synonym
- Biologen Synonym
- Biotalk Synonym
- Oslon Synonym
- Anthium 200 Synonym
- Carnelron Synonym
- Dura Klor Synonym
- Diklor Synonym
- Chlorine dioxide (OClO) Synonym
- Chlorine dioxide radical Synonym
- RenNew D Synonym
- Aqua Care Synonym
- RetarDEX Synonym
- RetarDEX (oxidizing agent) Synonym
- Oxine Synonym
- Biosukegawa 1000 Synonym
- Purite Synonym
- Dioxiclear Synonym
- Oxine (bactericide) Synonym
- OcuPure Synonym
- Clidox Synonym
- MicroClear Synonym
- Vibrex Synonym
- Luxianfeng Synonym
- Selectrocide Synonym
- FermaSure Synonym
- Clidox-S Synonym
- Zns-Clordioxy Synonym
- Ar-Dez Sniper Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 67.45 g/mol | CAS Common Chemistry |
| 67.45100000000001 g/mol | RDKit | |
| 67.451 g/mol | RDKit | |
| 68.456 g/mol | chempirical lib | |
| Density | 1.60 g/cm³ | CAS Common Chemistry |
| 1.6 g/cm3 @ 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 |
| 42.96 Ų | RDKit | |
| LogP | -1.3078 | RDKit |
| Molar Refractivity | 0.6865 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 66.95868192 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 67.45 g/mol; density = 1.600 g/mL. Edit any field — others recompute live.
