Record Information
Version1.0
Creation Date2016-05-22 03:24:03 UTC
Update Date2016-11-09 01:15:21 UTC
Accession NumberCHEM016240
Identification
Common NameBarium chloride dihydrate
ClassSmall Molecule
DescriptionA hydrate that is the dihydrate form of barium chloride.
Contaminant Sources
  • ToxCast & Tox21 Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
Synonyms
ValueSource
BaCl2.2H2OChEBI
Barium dichloride dihydrateChEBI
Barium dichloride dihydric acidGenerator
Barium chloride dihydric acidGenerator
Barium(2+);dichloride;dihydric acidGenerator
BaCl2MeSH
Barium chlorideMeSH
Barium chloride, (140)bacl2MeSH
Barium chloride, (153)bacl2MeSH
Barium chloride, dihydrateMeSH
Barium chloride, hexahydrateMeSH
Barium chloride, monohydrateMeSH
Barium chloride, octaammoniateMeSH
Barium dichlorideMeSH
Barium chloride, dihydric acidGenerator
Chemical FormulaBaCl2H4O2
Average Molecular Mass244.260 g/mol
Monoisotopic Mass243.864 g/mol
CAS Registry Number10326-27-9
IUPAC Namebarium(2+) ion dihydrate dichloride
Traditional Namebarium(2+) ion dihydrate dichloride
SMILESO.O.[Cl-].[Cl-].[Ba++]
InChI IdentifierInChI=1S/Ba.2ClH.2H2O/h;2*1H;2*1H2/q+2;;;;/p-2
InChI KeyPWHCIQQGOQTFAE-UHFFFAOYSA-L
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as alkaline earth metal 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
ClassAlkaline earth metal salts
Sub ClassAlkaline earth metal chlorides
Direct ParentAlkaline earth metal chlorides
Alternative Parents
Substituents
  • Alkaline earth metal chloride
  • Inorganic chloride salt
  • Inorganic oxide
  • 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 Solubility72.8 g/LALOGPS
logP0.61ALOGPS
logP-0.2ChemAxon
logS-0.46ALOGPS
pKa (Strongest Acidic)3.09ChemAxon
Physiological Charge2ChemAxon
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
SpectraNot Available
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 LinkBarium chloride
Chemspider IDNot Available
ChEBI ID86153
PubChem Compound ID25157
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available