Record Information
Version1.0
Creation Date2016-05-19 04:42:21 UTC
Update Date2016-11-09 01:15:08 UTC
Accession NumberCHEM015055
Identification
Common NameCerium(III) chloride
ClassSmall Molecule
Description
Contaminant Sources
  • HPV EPA Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
Synonyms
ValueSource
[CeCl3]ChEBI
CeCl3ChEBI
Cerium chlorideChEBI
Cerous chlorideChEBI
Cerous(III) chlorideChEBI
Cerous chloride, 141ce-labeledMeSH
Cerous chloride, 144ce-labeledMeSH
Cerous chloride hexahydrateMeSH
Cerous chloride octahydrateMeSH
Cerous chloride heptahydrateMeSH
Cerium trichlorideMeSH
Cerium(III) chlorideMeSH
Chemical FormulaCeCl3
Average Molecular Mass246.470 g/mol
Monoisotopic Mass244.812 g/mol
CAS Registry Number7790-86-5
IUPAC Namecerium(3+) ion trichloride
Traditional Namecerium(3+) ion trichloride
SMILES[Cl-].[Cl-].[Cl-].[Ce+3]
InChI IdentifierInChI=1S/Ce.3ClH/h;3*1H/q+3;;;/p-3
InChI KeyVYLVYHXQOHJDJL-UHFFFAOYSA-K
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as lanthanide chlorides. These are inorganic compounds in which the largest halogen atom is Chlorine, and the heaviest metal atom is a lanthanide.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassLanthanide salts
Sub ClassLanthanide chlorides
Direct ParentLanthanide chlorides
Alternative Parents
Substituents
  • Lanthanide chloride
  • Inorganic chloride salt
  • Inorganic salt
Molecular FrameworkNot Available
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility34.2 g/LALOGPS
logP1.59ALOGPS
logP0ChemAxon
logS-0.86ALOGPS
pKa (Strongest Acidic)3.09ChemAxon
Physiological Charge3ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity0 m³·mol⁻¹ChemAxon
Polarizability1.78 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0002-0090000000-816b89dccb8e496c4faaSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0002-0090000000-816b89dccb8e496c4faaSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0002-0090000000-816b89dccb8e496c4faaSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0006-0090000000-359189c4d29cda3240a9Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0006-0090000000-359189c4d29cda3240a9Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0006-0090000000-359189c4d29cda3240a9Spectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkCerium(III) chloride
Chemspider IDNot Available
ChEBI ID35458
PubChem Compound ID24636
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available