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Molecule
Cerium Trichloride Heptahydrate
CAS: 18618-55-8 · H14CeCl3O7
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 18618-55-8
- Molecular Formula
- H14CeCl3O7
- Molecular Mass
- 372.58 g/mol
Identifiers
CAS Registry Number
18618-55-8
SMILES
O.O.O.O.O.O.O.[Ce+3].[Cl-].[Cl-].[Cl-]
InChI Key
KPZSTOVTJYRDIO-UHFFFAOYSA-K
InChI
InChI=1S/Ce.3ClH.7H2O/h;3*1H;7*1H2/q+3;;;;;;;;;;/p-3
Names and Synonyms
- Cerium Trichloride Heptahydrate Common Name
- Cerium chloride (CeCl3), hydrate (1:7) Synonym
- Cerium chloride (CeCl3), heptahydrate Synonym
- Cerous chloride heptahydrate Synonym
- Cerium trichloride heptahydrate Synonym
- Cerium (III) chloride heptahydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 372.58 g/mol | CAS Common Chemistry |
| 372.5799999999999 g/mol | RDKit | |
| 378.619 g/mol | chempirical lib | |
| 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 |
| -14.7609 | RDKit | |
| Molar Refractivity | 25.296599999999994 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 370.88594952799997 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 372.58 g/mol. Edit any field — others recompute live.
