Record Information
Version1.0
Creation Date2009-06-19 21:58:19 UTC
Update Date2016-11-09 01:08:24 UTC
Accession NumberCHEM000952
Identification
Common NameBarium nitrate
ClassSmall Molecule
DescriptionBarium nitrate is a chemical compound of barium. It is used in explosives, to produce barium oxide, in vacuum tubes, and to produce green fire in pyrotechnics. 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. Nitrite is a toxic compound known to cause methemoglobinemia. (7, 6, 5)
Contaminant Sources
  • HPV EPA Chemicals
  • T3DB toxins
  • ToxCast & Tox21 Chemicals
Contaminant Type
  • Barium Compound
  • Industrial/Workplace Toxin
  • Inorganic Compound
  • Nitrate
  • Nitrite
  • Synthetic Compound
Chemical Structure
Thumb
Synonyms
ValueSource
Barium nitric acidGenerator
Barium nitrate, monohydrateMeSH
Chemical FormulaBaN2O6
Average Molecular Mass261.337 g/mol
Monoisotopic Mass261.881 g/mol
CAS Registry Number10022-31-8
IUPAC Name(nitrooxy)bario nitrate
Traditional Name(nitrooxy)bario nitrate
SMILES[O-][N+](=O)O[Ba]O[N+]([O-])=O
InChI IdentifierInChI=1S/Ba.2NO3/c;2*2-1(3)4/q+2;2*-1
InChI KeyIWOUKMZUPDVPGQ-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as alkaline earth metal nitrates. These are inorganic compounds in which the largest oxoanion is nitrate, and in which the heaviest atom not in an oxoanion is an alkaline earth metal.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassAlkaline earth metal oxoanionic compounds
Sub ClassAlkaline earth metal nitrates
Direct ParentAlkaline earth metal nitrates
Alternative Parents
Substituents
  • Alkaline earth metal nitrate
  • Inorganic oxide
  • 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 Point590°C (decomp.)
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
logP1.14ChemAxon
pKa (Strongest Basic)-5.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area110.1 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity18.52 m³·mol⁻¹ChemAxon
Polarizability8.72 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-0090000000-0e9a3299f6008c745c9aSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-0090000000-0e9a3299f6008c745c9aSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-01ot-9050000000-26aec3d2e4f88a7affe3Spectrum
Toxicity Profile
Route of ExposureOral (6) ; inhalation (6)
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. Nitrate's toxicity is a result of it's conversion to nitrite once in the body. Nitrite causes the autocatalytic oxidation of oxyhemoglobin to hydrogen peroxide and methemoglobin. This elevation of methemoglobin levels is a condition known as methemoglobinemia, and is characterized by tissue hypoxia, as methemoglobin cannot bind oxygen. (2, 8, 6)
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. Intake of some amount of nitrates and nitrites is a normal part of the nitrogen cycle in humans. In vivo conversion of nitrates to nitrites can occur in the gastrointestional tract under the right conditions, significantly enhancing nitrates' toxic potency. The major metabolic pathway for nitrate is conversion to nitrite, and then to ammonia. Nitrites, nitrates, and their metabolites are excreted in the urine. (7, 6)
Toxicity ValuesLD50: 355 mg/kg (Oral, Rat) (9)
Lethal Dose1 to 15 grams for an adult human (barium salts). (10)
Carcinogenicity (IARC Classification)Ingested nitrate or nitrite under conditions that result in endogenous nitrosation is probably carcinogenic to humans (Group 2A). (4)
Uses/SourcesBarium nitrate is used in explosives, to produce barium oxide, in vacuum tubes, and to produce green fire in pyrotechnics. (5)
Minimum Risk LevelIntermediate Oral: 0.2 mg/kg/day (3) Chronic Oral: 0.2 mg/kg/day (3)
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. Nitrate and nitrite poisoning causes methemoglobinemia. Nitrites may cause pregnancy complications and developmental effects. They may also be carcinogenic. (7, 6)
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. Nitrate and nitrite poisoning causes methemoglobinemia. Symptoms include cyanosis, cardiac dysrhythmias and circulatory failure, and progressive central nervous system (CNS) effects. CNS effects can range from mild dizziness and lethargy to coma and convulsions. (7, 6)
TreatmentIntravenous infusion of potassium often relieves many of the symptoms of barium toxicity. Methemoglobinemia can be treated with supplemental oxygen and methylene blue 1% solution administered intravenously slowly over five minutes followed by IV flush with normal saline. Methylene blue restores the iron in hemoglobin to its normal (reduced) oxygen-carrying state. (8, 6)
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 nitrate
Chemspider IDNot Available
ChEBI IDNot Available
PubChem Compound ID24798
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available