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Molecule
Cobalt Dichloride Hexahydrate
CAS: 7791-13-1 · H12Cl2CoO6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 7791-13-1
- Molecular Formula
- H12Cl2CoO6
- Molecular Mass
- 237.93 g/mol
Identifiers
CAS Registry Number
7791-13-1
SMILES
O.O.O.O.O.O.[Cl-].[Cl-].[Co+2]
InChI Key
GFHNAMRJFCEERV-UHFFFAOYSA-L
InChI
InChI=1S/2ClH.Co.6H2O/h2*1H;;6*1H2/q;;+2;;;;;;/p-2
Names and Synonyms
- Cobalt Dichloride Hexahydrate Common Name
- Cobalt chloride (CoCl2), hexahydrate Synonym
- Cobaltous chloride hexahydrate Synonym
- Cobalt dichloride hexahydrate Synonym
- Cobalt(II) chloride hexahydrate Synonym
- Cobalt(2+) chloride hexahydrate Synonym
- Cobalt chloride hexahydrate (CoCl2·6H2O) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 237.93 g/mol | CAS Common Chemistry |
| 237.929 g/mol | RDKit | |
| 241.955 g/mol | chempirical lib | |
| Canonical SMILES | Cl[Co]Cl.O | CAS Common Chemistry |
| InChI | InChI=1S/2ClH.Co.6H2O/h2*1H;;6*1H2/q;;+2;;;;;;/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=GFHNAMRJFCEERV-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Cobalt dichloride hexahydrate | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 189.0 Ų | RDKit |
| LogP | -10.942699999999997 | RDKit |
| -10.9427 | RDKit | |
| Molar Refractivity | 21.682799999999997 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 236.93428846400002 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 = 237.93 g/mol. Edit any field — others recompute live.
