Barium sulfate
Overview
Description
Barium sulfate is an inorganic compound with the chemical formula BaSO₄. It is a white crystalline solid that is odorless and insoluble in water. This compound occurs naturally as the mineral barite, which is the primary commercial source of barium and its derivatives . This compound is known for its high density and opacity, making it useful in various industrial and medical applications .
Synthetic Routes and Reaction Conditions:
-
Using Barium Chloride and Sulfuric Acid:
-
Using Barium Sulfide and Sodium Sulfate:
Industrial Production Methods:
Direct Precipitation: This method involves the interaction of barium ions and sulfate ions in a liquid environment.
Types of Reactions:
Precipitation Reaction: this compound is formed as a precipitate when barium ions react with sulfate ions in an aqueous solution.
Common Reagents and Conditions:
Sulfuric Acid and Barium Chloride: Used in the precipitation reaction to form this compound.
Sodium Sulfate and Barium Sulfide: Alternative reagents for the precipitation of this compound.
Major Products:
Mechanism of Action
Target of Action
Barium sulfate is primarily used as a radiographic contrast agent for X-ray imaging and other diagnostic procedures . Its primary targets are the structures within the gastrointestinal (GI) tract .
Mode of Action
This compound works by increasing the absorption of X-rays as they pass through the body . Due to its high atomic number, barium is opaque to X-rays, which allows for the clear visualization of structures where this compound is localized . This compound is ingested or administered rectally and combined with granules of effervescent bicarbonate to enhance distension of the GI tract, allowing for enhanced visualization .
Biochemical Pathways
It remains in the GI tract without being absorbed into the bloodstream . It’s worth noting that barium ions can interfere with potassium channels in the body, affecting muscle and nerve function .
Pharmacokinetics
This compound exhibits unique pharmacokinetic properties due to its low water solubility and high level of clearance from the body . After administration, it is excreted from the body through the rectum .
Result of Action
The primary result of this compound’s action is the clear visualization of the GI tract during X-ray imaging . It allows healthcare professionals to diagnose and monitor various conditions within the GI tract .
Action Environment
The action of this compound can be influenced by environmental factors. For instance, the presence of other elements in the GI tract can affect the distribution and excretion of this compound . Additionally, the compound’s action may be influenced by the patient’s hydration status, as adequate hydration can help avoid obstruction or impaction following a this compound procedure .
Biochemical Analysis
Biochemical Properties
Barium Sulfate does not directly participate in biochemical reactions. It is primarily used in medical procedures and industrial applications due to its physical properties . It can enhance the fluorescence properties of organic dyes, making it a valuable tool in food safety and quality control .
Cellular Effects
Its primary use in the biological context is as a contrast agent in medical imaging, where it helps visualize certain structures or areas in the body .
Molecular Mechanism
The molecular mechanism of this compound primarily involves its interaction with X-rays during medical imaging. As a heavy metal compound, this compound absorbs X-rays and appears white on an X-ray film, helping to highlight the gastrointestinal tract .
Temporal Effects in Laboratory Settings
In laboratory settings, this compound is stable and does not degrade over time . It does not have any long-term effects on cellular function observed in in vitro or in vivo studies .
Dosage Effects in Animal Models
The effects of this compound in animal models are primarily related to its use as a contrast agent in medical imaging. The compound is generally considered safe at the dosages used for this purpose .
Metabolic Pathways
This compound is not involved in any known metabolic pathways. It is not metabolized by the body and is excreted unchanged .
Transport and Distribution
After oral administration, this compound is transported through the digestive tract. It is not absorbed into the body but is eliminated unchanged in the feces .
Subcellular Localization
This compound does not enter cells and therefore does not have a subcellular localization. It remains in the gastrointestinal tract after administration and is excreted unchanged .
Scientific Research Applications
Barium sulfate has a wide range of applications in scientific research:
Comparison with Similar Compounds
Calcium Sulfate (CaSO₄): Like barium sulfate, calcium sulfate is also used in medical imaging but has different sol
Properties
| Barium sulfate is a heavy metal with a high atomic number (Z=56) and a K shell binding energy (K-edge of 37.4 keV) very close to that of most diagnostic x-ray beams. Due to these characteristics, barium is an ideal medium for the absorption of x-rays. Barium sulfate is essentially not absorbed from the GI tract nor metabolized in the body. Barium sulfate is used to fill the gastrointestinal tract lumen or to coat the mucosal surface and is administered orally, rectally, or instilled into an enterostomy tube or catheter,. Barium sulfate enhances delineation of the GI tract. The barium suspension covers the mucosal surface of the GI tract, allowing its shape, distensibility, motion, integrity, continuity, location within the torso, relationship to other organs to be closely examined. Various abnormalities, such as benign or malignant tumors, ulcers, strictures, diverticula, inflammation or infection, altered motility, displacement and other pathology can thereby be identified,. At lower concentrations (higher dilution), barium enhances the conspicuity of the GI tract to differentiate the GI tract from various abdominal organs in computed tomography examinations (CT scans) of the abdomen. Improved delineation of the gastrointestinal tract lumen and mucosa may be reached by contrast provided by gas (by the addition of bicarbonate or gas-filled balloons) in addition to the barium. This is known as a _double-contrast procedure_. Osmotically active agents (for example, sorbitol) are also used to induce fluid accumulation and distension of the GI system to enhance visualization. | |
CAS No. |
7727-43-7 |
Molecular Formula |
BaH2O4S |
Molecular Weight |
235.41 g/mol |
IUPAC Name |
barium(2+);sulfate |
InChI |
InChI=1S/Ba.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4) |
InChI Key |
XUBKPYAWPSXPDZ-UHFFFAOYSA-N |
impurities |
Natural impurities are ferric oxide, silicon dioxide, and strontium sulfate. |
SMILES |
[O-]S(=O)(=O)[O-].[Ba+2] |
Canonical SMILES |
OS(=O)(=O)O.[Ba] |
boiling_point |
2912 °F at 760 mmHg (Decomposes) (NIOSH, 2024) decomposes 2912 °F (decomposes) 2912 °F (Decomposes) |
Color/Form |
Fine, heavy powder or polymorphous crystals White, orthorhombic crystals White or yellowish powder Opaque powde |
density |
4.25 to 4.5 (NIOSH, 2024) 4.49 g/cu cm 4.5 g/cm³ 4.25-4.5 |
melting_point |
2876 °F (NIOSH, 2024) 1580 °C 2876 °F |
| 7727-43-7 13462-86-7 |
|
physical_description |
Barium sulfate appears as white or yellowish odorless powder or small crystals. Mp: 1580 °C (with decomposition). Density: 4.25 -4.5 g cm-3. Insoluble in water, dilute acids, alcohol. Soluble in hot concentrated sulfuric acid. Used as a weighting mud in oil-drilling, in paints, paper coatings, linoleum, textiles, rubber. Administered internally ("barium cocktail") as a radio-opaque diagnostic aid. Pellets or Large Crystals; Dry Powder; NKRA; Water or Solvent Wet Solid; Other Solid; Dry Powder, Liquid; Liquid, Other Solid; Liquid White or yellowish, odorless powder; [NIOSH] Insoluble in water; [HSDB] ODOURLESS TASTELESS WHITE OR YELLOWISH CRYSTALS OR POWDER. White or yellowish, odorless powder. |
Pictograms |
Health Hazard |
solubility |
0.0002 % at 64 °F (NIOSH, 2024) Very slightly soluble in cold water SOLUBILITY IN WATER INCREASES CONSIDERABLY IN PRESENCE OF CHLORIDE & OTHER ANIONS 0.00031 g/100 g water at 20 °C; insol in ethanol Soluble in hot concentrated sulfuric acid; practically insoluble in dilute acids and alcohol Practically insoluble in organic solvents; very slightly soluble in alkalis and in solution of many salts Solubility in water: none (64 °F): 0.0002% |
Synonyms |
Barite Baritop Barium Sulfate Barium Sulfate (2:1) E Z CAT E-Z-CAT EZCAT Micropaque Oral Sulfate, Barium |
vapor_pressure |
0 mmHg (approx) (NIOSH, 2024) 0 mmHg (approx) |
Origin of Product |
United States |
Synthesis routes and methods I
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Synthesis routes and methods II
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Synthesis routes and methods III
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Synthesis routes and methods IV
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Retrosynthesis Analysis
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Strategy Settings
| Precursor scoring | Relevance Heuristic |
|---|---|
| Min. plausibility | 0.01 |
| Model | Template_relevance |
| Template Set | Pistachio/Bkms_metabolic/Pistachio_ringbreaker/Reaxys/Reaxys_biocatalysis |
| Top-N result to add to graph | 6 |
Feasible Synthetic Routes
Q1: What is the molecular formula and weight of barium sulfate?
A1: this compound has the molecular formula BaSO4 and a molecular weight of 233.38 g/mol.
Q2: What are some key properties of this compound?
A2: this compound is an inorganic compound characterized by its high density, white color, and insolubility in water. It is chemically inert and thermally stable, decomposing at temperatures above 1600°C. These properties make it suitable for various applications.
Q3: How is this compound used in medical imaging?
A3: this compound is widely used as a radiopaque contrast agent in medical imaging, particularly for visualizing the gastrointestinal tract. Due to its insolubility and high atomic number, it absorbs X-rays efficiently, allowing for clear visualization of the digestive system during procedures like barium swallows and barium enemas [, ].
Q4: Are there any concerns regarding the gluten content of this compound suspensions used in medical procedures for patients with Celiac disease?
A4: Yes, determining the gluten content of commercially available this compound suspensions can be challenging. A study revealed that a significant proportion of hospitals and imaging centers were unaware of the gluten content in the contrast media they used []. Clinicians need to ensure gluten-free this compound suspensions are used for patients with Celiac disease or those following a gluten-free diet.
Q5: Can this compound be used for imaging modalities other than X-ray?
A5: Research suggests this compound can be combined with near-infrared-II (NIR-II) absorbing pigments to create a dual-modality contrast agent for both X-ray and photoacoustic imaging (PAI) []. This could allow for complementary imaging information from a single contrast administration.
Q6: Are there any risks associated with the use of this compound in medical imaging?
A6: While generally considered safe, there have been isolated reports of complications related to this compound use. In one instance, a hemodialysis catheter fracture was attributed to the accumulation of this compound particles within the catheter material []. This emphasizes the importance of careful formulation and quality control in the manufacturing of medical-grade this compound.
Q7: Can this compound be used as a filler in polymer composites?
A7: Yes, this compound can function as a filler in polymer composites. For example, incorporating this compound into polypropylene/polystyrene blends can modify the blend's microstructure and dynamic mechanical properties []. The presence of specific modifiers, such as maleic anhydride-grafted polypropylene, can influence the filler's distribution within the polymer matrix, further affecting the composite's properties.
Q8: How does this compound contribute to radiation shielding?
A8: this compound's high atomic number makes it effective for attenuating X-rays. Studies have explored its use in radiation-shielding materials. One study investigated incorporating this compound into bricks, showing promising X-ray shielding properties with increasing this compound content []. Another study developed X-ray-shielding films using this compound nanoparticles embedded in a polyethylene terephthalate (PET) matrix, demonstrating potential as an alternative to lead-based shielding materials [].
Q9: Can this compound be used to create colored pigments?
A9: Yes, this compound can be used as a base material for producing pigments. One study describes a method of depositing ferric oxide onto this compound particles, creating a novel pigment with enhanced optical and functional properties for architectural and industrial coatings [].
Q10: What are the environmental concerns associated with this compound?
A10: While this compound itself is considered relatively inert and non-toxic, its production and disposal can have environmental impacts. The mining of barite, the primary source of this compound, can lead to habitat destruction and pollution. The responsible management of this compound waste, including recycling and proper disposal practices, is crucial for minimizing environmental harm [].
Q11: How is this compound typically synthesized?
A11: this compound is commonly synthesized through precipitation reactions involving soluble barium salts, such as barium chloride, and sulfate-containing solutions, like sulfuric acid or sodium sulfate [, ]. Controlling reaction parameters like concentration, temperature, and the presence of additives can influence the particle size, morphology, and purity of the synthesized this compound.
Q12: Are there methods for analyzing the sulfur isotope ratio in this compound derived from historical artifacts containing vermilion (mercuric sulfide)?
A12: Yes, a method for analyzing the sulfur isotope ratio in this compound prepared from vermilion has been developed to prevent mercury contamination []. This method involves dissolving mercuric sulfide in reverse aqua regia, oxidizing sulfur ions to sulfate ions with bromine, and then directly adding barium chloride to precipitate this compound without the need for ion-exchange resins. This technique ensures accurate sulfur isotope analysis while minimizing mercury contamination.
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