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Molecule
Chlorine Oxide (Cl2O7)
CAS: 10294-48-1 · Cl2O7
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 10294-48-1
- Molecular Formula
- Cl2O7
- Molecular Mass
- 182.90 g/mol
Identifiers
CAS Registry Number
10294-48-1
SMILES
[O-][Cl+3]([O-])([O-])O[Cl+3]([O-])([O-])[O-]
InChI Key
SCDFUIZLRPEIIH-UHFFFAOYSA-N
InChI
InChI=1S/Cl2O7/c3-1(4,5)9-2(6,7)8
Names and Synonyms
- Chlorine Oxide (Cl2O7) Synonym
- Chlorine oxide (Cl2O7) Synonym
- Dichlorine heptoxide Synonym
- Perchloric anhydride Synonym
- Chlorine heptoxide (Cl2O7) Synonym
- Chlorine heptoxide Synonym
- Dichlorine heptaoxide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 182.90 g/mol | CAS Common Chemistry |
| 182.89899999999997 g/mol | RDKit | |
| 182.899 g/mol | RDKit | |
| 182.893 g/mol | chempirical lib | |
| Density | 1.81 g/cm³ | CAS Common Chemistry |
| 1.8053 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Canonical SMILES | O=Cl(=O)(=O)OCl(=O)(=O)=O | CAS Common Chemistry |
| InChI | InChI=1S/Cl2O7/c3-1(4,5)9-2(6,7)8 | CAS Common Chemistry |
| InChI Key | InChIKey=SCDFUIZLRPEIIH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -91.5 °C | CAS Common Chemistry |
| Name | Chlorine oxide (Cl2O7) | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 147.59 Ų | RDKit |
| LogP | -7.202400000000001 | RDKit |
| -7.2024 | RDKit | |
| Molar Refractivity | 1.085 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 181.90210770000002 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
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MW = 182.90 g/mol; density = 1.810 g/mL. Edit any field — others recompute live.
