trichlorocerium heptahydrate

• ChemBase ID: 140235
• Molecular Formular: CeCl3H14O7
• Molecular Mass: 372.58196
• Monoisotopic Mass: 370.88594883
• SMILES: O.O.O.O.O.O.O.Cl[Ce](Cl)Cl
• Canonical SMILES: Cl[Ce](Cl)Cl.O.O.O.O.O.O.O
• InChI: InChI=1S/Ce.3ClH.7H2O/h;3*1H;7*1H2/q+3;;;;;;;;;;/p-3
• InChIKey: KPZSTOVTJYRDIO-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: trichlorocerium heptahydrate
• IUPAC Traditional name: cerium chloride heptahydrate
• Synonyms: Cerium trichloride heptahydrate; Cerous chloride heptahydrate; Cerium(III) chloride heptahydrate; 三氯化铈 七水合物; 氯化铈(III) 七水合物

Database IDs

• CAS Number: 18618-55-8
• EC Number: 232-227-8
• MDL Number: MFCD00149634
• PubChem SID: 162234479; 24853361; 24853718; 24852136
• PubChem CID: 16211465

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.9035
• LogD (pH = 7.4): 1.9035
• Log P: 1.9035
• Molar Refractivity: 18.4089 cm^3
• Polarizability: 12.935312 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: crystals and lumps
• Density: ~3.94 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (AT); 99.9% trace metals basis; 99.999% trace metals basis
• Grade: purum p.a.
• Cation Traces: Ca: ≤50 mg/kg; Cd: ≤50 mg/kg; Co: ≤50 mg/kg; Cu: ≤50 mg/kg; Fe: ≤50 mg/kg; K: ≤100 mg/kg; Na: ≤100 mg/kg; Ni: ≤50 mg/kg; Pb: ≤50 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: sulfate (SO42-): ≤200 mg/kg
• Linear Formula: CeCl3 · 7H2O

DETAILS

Sigma Aldrich - 228931

Application
Catalyst employed in a solvent-free microwave-assisted synthesis of 2-quinolones via condensation of β-ketoesters with o-anilinoketones.1 Coupled with NaI promotes the Beckmann rearrangement of oximes.2
Packaging
25, 100, 500 g in poly bottle

Sigma Aldrich - 22300

Packaging
100, 500 g in poly bottle

Sigma Aldrich - 202983

Application
Used in the conversion of esters to allylsilanes.1
Packaging
10, 100 g in poly bottle