ContaminantDB: Barium sulfate

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References Targets (21)XML

Record Information

Version

1.0

Creation Date

2009-06-19 21:58:20 UTC

Update Date

2026-05-14 19:07:23 UTC

Accession Number

CHEM000959

Identification

Common Name

Barium sulfate

Class

Small Molecule

Description

Barium sulfate is a sulfate of barium. It is used as a radiocontrast agent for X-ray imaging, in pigments, and to produce green light 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. (3, 2)

Contaminant Sources

HPV EPA Chemicals
T3DB toxins

Contaminant Type

Barium Compound
Household Toxin
Human Neurotoxin
Industrial/Workplace Toxin
Inorganic Compound
Synthetic Compound

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Barite	ChEBI
Baritop	ChEBI
Barosperse	ChEBI
Barotrast	ChEBI
BaSO4	ChEBI
Blanc fixe	ChEBI
e-Z-Paque	ChEBI
Enamel white	ChEBI
EneCat	ChEBI
EneMark	ChEBI
EntroBar	ChEBI
Esophotrast	ChEBI
Liquipake	ChEBI
Macropaque	ChEBI
Micropaque	ChEBI
Microtrast	ChEBI
Pigment white 22	ChEBI
Radiobaryt	ChEBI
Radiopaque	ChEBI
Readi-cat	ChEBI
Sulfuric acid, barium salt (1:1)	ChEBI
Baricon	Kegg
Sulfate, barium salt (1:1)	Generator
Sulphate, barium salt (1:1)	Generator
Sulphuric acid, barium salt (1:1)	Generator
Barium sulfuric acid	Generator
Barium sulphate	Generator
Barium sulphuric acid	Generator
e-Z-CAT	MeSH
EZCAT	MeSH
Sulfate, barium	MeSH
Barium sulfate (2:1)	MeSH
e Z CAT	MeSH
Micropaque oral	MeSH

Chemical Formula

BaO₄S

Average Molecular Mass

233.390 g/mol

Monoisotopic Mass

233.857 g/mol

CAS Registry Number

7727-43-7

IUPAC Name

barium(2+) sulfate

Traditional Name

barium(2+) ion sulfate

SMILES

[Ba++].[O-]S([O-])(=O)=O

InChI Identifier

InChI=1S/Ba.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2

InChI Key

TZCXTZWJZNENPQ-UHFFFAOYSA-L

Chemical Taxonomy

Description

belongs to the class of inorganic compounds known as alkaline earth metal sulfates. These are inorganic compounds in which the largest oxoanion is sulfate, and in which the heaviest atom not in an oxoanion is an alkaline earth metal.

Kingdom

Inorganic compounds

Super Class

Mixed metal/non-metal compounds

Class

Alkaline earth metal oxoanionic compounds

Sub Class

Alkaline earth metal sulfates

Direct Parent

Alkaline earth metal sulfates

Alternative Parents

Substituents

Alkaline earth metal sulfate
Inorganic oxide
Inorganic salt

Molecular Framework

Not Available

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Exogenous

Cellular Locations

Cytoplasm
Extracellular

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Physical Properties

State

Solid

Appearance

White crystals.

Experimental Properties

Property	Value
Melting Point	1580°C
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
logP	-0.84	ChemAxon
pKa (Strongest Acidic)	-3	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	80.26 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	11.53 m³·mol⁻¹	ChemAxon
Polarizability	5.81 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-001i-0090000000-c1ab5d057cf9c5696620	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-001i-0090000000-0952f003929e366889c0	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-001i-0090000000-0952f003929e366889c0	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-001i-0090000000-0952f003929e366889c0	Spectrum

Toxicity Profile

Route of Exposure

Oral (3) ; inhalation (3)

Mechanism of Toxicity

Barium 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)

Metabolism

Barium 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 Values

Not Available

Lethal Dose

1 to 15 grams for an adult human (barium salts). (4)

Carcinogenicity (IARC Classification)

No indication of carcinogenicity to humans (not listed by IARC).

Uses/Sources

Barium sulfate is used as a radiocontrast agent for X-ray imaging, in pigments, and to produce green light in pyrotechnics. (2)

Minimum Risk Level

Intermediate Oral: 0.2 mg/kg/day (1) Chronic Oral: 0.2 mg/kg/day (1)

Health Effects

The 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)

Symptoms

Ingesting 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)

Treatment

Intravenous infusion of potassium often relieves many of the symptoms of barium toxicity. (3)

Concentrations

Not Available

External Links

DrugBank ID

DB11150

HMDB ID

Not Available

FooDB ID

Not Available

Phenol Explorer ID

Not Available

KNApSAcK ID

Not Available

BiGG ID

Not Available

BioCyc ID

Not Available

METLIN ID

Not Available

PDB ID

Not Available

Wikipedia Link

Barium_sulfate

Chemspider ID

Not Available

ChEBI ID

133326

PubChem Compound ID

24414

Kegg Compound ID

Not Available

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

1. https://www.ncbi.nlm.nih.gov/pubmed/?term=22831859

2. https://www.ncbi.nlm.nih.gov/pubmed/?term=25710096

3. https://www.ncbi.nlm.nih.gov/pubmed/?term=26903568

Barium sulfate (CHEM000959)

Structure for CHEM000959: Barium sulfate