Barium fluoride (CHEM000947)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesTargets (21)XML
Record Information
Version1.0
Creation Date2009-06-19 21:58:18 UTC
Update Date2026-04-05 18:31:19 UTC
Accession NumberCHEM000947
Identification
Common NameBarium fluoride
ClassSmall Molecule
DescriptionBarium fluoride is a fluoride of barium that occurs naturally as the mineral frankdicksonite. It is used to make optical components such as lenses, in to production of welding agents, and in aluminum refining. Barium fluoride can also be used as a scintillator for the detection of X-rays and gamma rays. Barium is a metallic alkaline earth metal with the symbol Ba, and atomic number 56. It never occurs in nature in its pure form due to its reactivity with air, but combines with other chemicals such as sulfur or carbon and oxygen to form barium compounds that may be found as minerals. (3, 2)
Contaminant Sources
  • HPV EPA Chemicals
  • T3DB toxins
Contaminant Type
  • Barium Compound
  • Fluoride Compound
  • Industrial/Workplace Toxin
  • Inorganic Compound
  • Natural Compound
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaBaF2
Average Molecular Mass175.324 g/mol
Monoisotopic Mass175.902 g/mol
CAS Registry Number7787-32-8
IUPAC Namebarium(2+) ion difluoride
Traditional Namebarium(2+) ion difluoride
SMILES[F-].[F-].[Ba++]
InChI IdentifierInChI=1S/Ba.2FH/h;2*1H/q+2;;/p-2
InChI KeyOYLGJCQECKOTOL-UHFFFAOYSA-L
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as alkaline earth metal fluorides. These are inorganic compounds in which the largest halogen atom is fluorine, and the heaviest metal atom is a lanthanide.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassAlkaline earth metal salts
Sub ClassAlkaline earth metal fluorides
Direct ParentAlkaline earth metal fluorides
Alternative Parents
Substituents
  • Alkaline earth metal fluoride
  • Inorganic salt
Molecular FrameworkNot Available
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Cytoplasm
  • Extracellular
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateSolid
AppearanceWhite crystals.
Experimental Properties
PropertyValue
Melting Point1368°C
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
logP0.15ChemAxon
pKa (Strongest Acidic)3.17ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity0.87 m³·mol⁻¹ChemAxon
Polarizability0.44 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
SpectraNot Available
Toxicity Profile
Route of ExposureOral (3) ; inhalation (3)
Mechanism of ToxicityBarium is a competitive potassium channel antagonist that blocks the passive efflux of intracellular potassium, resulting in a shift of potassium from extracellular to intracellular compartments. The intracellular translocation of potassium results in a decreased resting membrane potential, making the muscle fibers electrically unexcitable and causing paralysis. Some of these barium's effects may also be due to barium induced neuromuscular blockade and membrane depolarization. (3)
MetabolismBarium compounds are absorbed via ingestion and inhalation, the extent of which depends on the individual compound. In the body, the majority of the barium is found in the bone, while small amounts exists in the muscle, adipose, skin, and connective tissue. Barium is not metabolized in the body, but it may be transported or incorporated into complexes or tissues. Barium is excreted in the urine and faeces. (3)
Toxicity ValuesLD50: 250 mg/kg (Oral, Rat) (4)
Lethal Dose1 to 15 grams for an adult human (barium salts). (5)
Carcinogenicity (IARC Classification)No indication of carcinogenicity to humans (not listed by IARC).
Uses/SourcesBarium fluoride is used to make optical components such as lenses, in to production of welding agents, and in aluminum refining. Barium fluoride can also be used as a scintillator for the detection of X-rays and gamma rays. (2)
Minimum Risk LevelIntermediate Oral: 0.2 mg/kg/day (1) Chronic Oral: 0.2 mg/kg/day (1)
Health EffectsThe health effects of the different barium compounds depend on how well the compound dissolves in water or the stomach contents. At low doses, barium acts as a muscle stimulant, while higher doses affect the nervous system, causing cardiac irregularities, tremors, weakness, anxiety, dyspnea, paralysisand possibly death. Barium may also cause gastrointestinal disturbances, damage the kidneys and cause decreases in body weight. (3)
SymptomsIngesting excess barium may cause vomiting, abdominal cramps, diarrhea, difficulties in breathing, increased or decreased blood pressure, numbness around the face, and muscle weakness. High levels may result in changes in heart rhythm or paralysis and possibly death. (3)
TreatmentIntravenous infusion of potassium often relieves many of the symptoms of barium toxicity. (3)
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 fluoride
Chemspider IDNot Available
ChEBI IDNot Available
PubChem Compound ID62670
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available