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Cadmium Chloride, Hydrate
CAS: 7790-78-5 | H4CdCl2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7790-78-5
Molecular Formula:
H4CdCl2O2
Molecular Mass:
219.35 g/mol
Names and Synonyms:
Cadmium Chloride, Hydrate
Cadmium chloride (CdCl2), hydrate (2:5)
Cadmium chloride, hydrate (2:5)
Cadmium chloride hydrate (1:2.5)
Cadmium chloride, hydrate
Cadmium chloride hemipentahydrate
Identifiers:
SMILES:
O.O.[Cd+2].[Cl-].[Cl-]
InChI:
InChI=1S/Cd.2ClH.2H2O/h;2*1H;2*1H2/q+2;;;;/p-2
Key Properties
Density
2.84 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 | 219.35 g/mol | CAS Common Chemistry |
| 219.348 g/mol | RDKit | |
| 219.862193228 g/mol | RDKit | |
| Density | 2.84 g/cm³ | CAS Common Chemistry |
| 2.8406 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | Cl[Cd]Cl.O | CAS Common Chemistry |
| InChI | InChI=1S/Cd.2ClH.2H2O/h;2*1H;2*1H2/q+2;;;;/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=SJHUQGQHKBUYQV-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Cadmium chloride, hydrate | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 63.0 Ų | RDKit |
| LogP | -7.643899999999999 | RDKit |
| Molar Refractivity | 7.227599999999999 | RDKit |
