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Cerium Trichloride Heptahydrate
CAS: 18618-55-8 | H14CeCl3O7
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
18618-55-8
Molecular Formula:
H14CeCl3O7
Molecular Mass:
372.58 g/mol
Names and Synonyms:
Cerium Trichloride Heptahydrate
Cerium chloride (CeCl3), hydrate (1:7)
Cerium chloride (CeCl3), heptahydrate
Cerous chloride heptahydrate
Cerium trichloride heptahydrate
Cerium (III) chloride heptahydrate
Identifiers:
SMILES:
O.O.O.O.O.O.O.[Ce+3].[Cl-].[Cl-].[Cl-]
InChI:
InChI=1S/Ce.3ClH.7H2O/h;3*1H;7*1H2/q+3;;;;;;;;;;/p-3
Key Properties
Melting Point
103 °C
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 | 372.58 g/mol | CAS Common Chemistry |
| 372.5799999999999 g/mol | RDKit | |
| 370.88594952799997 g/mol | RDKit | |
| Canonical SMILES | Cl[Ce](Cl)Cl.O | CAS Common Chemistry |
| InChI | InChI=1S/Ce.3ClH.7H2O/h;3*1H;7*1H2/q+3;;;;;;;;;;/p-3 | CAS Common Chemistry |
| InChI Key | InChIKey=KPZSTOVTJYRDIO-UHFFFAOYSA-K | CAS Common Chemistry |
| Melting Point | 103 °C | CAS Common Chemistry |
| Name | Cerium trichloride heptahydrate | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 220.5 Ų | RDKit |
| LogP | -14.760899999999994 | RDKit |
| Molar Refractivity | 25.296599999999994 | RDKit |
