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Molecule
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
Identifiers
CAS Registry Number
7790-78-5
SMILES
O.O.[Cd+2].[Cl-].[Cl-]
InChI Key
SJHUQGQHKBUYQV-UHFFFAOYSA-L
InChI
InChI=1S/Cd.2ClH.2H2O/h;2*1H;2*1H2/q+2;;;;/p-2
Names and Synonyms
- Cadmium Chloride, Hydrate Systematic Name
- Cadmium chloride (CdCl2), hydrate (2:5) Synonym
- Cadmium chloride, hydrate (2:5) Synonym
- Cadmium chloride hydrate (1:2.5) Synonym
- Cadmium chloride, hydrate Synonym
- Cadmium chloride hemipentahydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 219.35 g/mol | CAS Common Chemistry |
| 219.862193228 g/mol | RDKit | |
| 219.348 g/mol | RDKit | |
| 223.376 g/mol | chempirical lib | |
| 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 |
| -7.6439 | RDKit | |
| Molar Refractivity | 7.227599999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 219.348 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 219.35 g/mol; density = 2.840 g/mL. Edit any field — others recompute live.
