molecular formula BaH2O4S B147921 Barium sulfate CAS No. 7727-43-7

Barium sulfate

Cat. No.: B147921
CAS No.: 7727-43-7
M. Wt: 235.41 g/mol
InChI Key: XUBKPYAWPSXPDZ-UHFFFAOYSA-N
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Description

Barium sulfate (BaSO₄) is a white crystalline compound renowned for its high density (4.5 g/cm³), chemical inertness, and exceptional insolubility in water and most acids . It occurs naturally as the mineral barite and is synthesized industrially for applications in medical imaging, manufacturing, and spectroscopy.

Properties

Key on ui mechanism of action

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

Other CAS No.

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

Scientific Research Applications

Medical Applications

1.1. Contrast Agent in Radiology
Barium sulfate is primarily used as a contrast agent in medical imaging, particularly in gastrointestinal (GI) tract examinations. It enhances the visibility of the GI tract during X-ray imaging and fluoroscopy. The compound is ingested or administered rectally, allowing for detailed imaging of conditions such as obstructions, tumors, and ulcers.

  • Case Study: A significant case involved a 47-year-old woman who experienced this compound aspiration during a barium swallow study. The aspiration led to massive deposits in her lungs, highlighting the potential risks associated with its use in diagnostic procedures.

1.2. Treatment of Intestinal Obstruction
this compound can also cause intestinal obstruction if not properly cleared from the body. A review of cases indicated that patients developed symptoms ranging from nausea to severe abdominal pain after undergoing barium examinations. In some instances, surgical intervention was required to remove residual barium.

Industrial Applications

2.1. Filler in Plastics and Paints
this compound is widely used as a filler in plastics and paints to enhance density and improve physical properties such as vibrational damping. Its high density makes it suitable for applications requiring mass damping.

  • Data Table: Physical Properties of this compound Fillers
PropertyValue
Density4.5 g/cm³
Particle Size0.5 - 10 μm
ReflectivityHigh (90%+)

2.2. Pigment in Coatings
In coatings, this compound serves as a pigment due to its high opacity and brightness. It is used in various applications including automotive paints and industrial coatings.

Environmental Applications

3.1. Soil Testing
this compound is employed in soil testing to clarify samples by binding with clay particles, thereby improving the accuracy of pH and nutrient assessments.

3.2. Wastewater Treatment
As an adsorbent, this compound can be utilized in wastewater treatment processes to remove heavy metals and other contaminants from water sources.

Emerging Research Applications

Recent studies have explored innovative uses for this compound nanoparticles in biomedical applications, such as drug delivery systems and as carriers for therapeutic agents due to their biocompatibility and stability.

  • Case Study: Research on the biokinetics of this compound nanoparticles showed promising results regarding their safety profile when inhaled, suggesting potential applications in respiratory therapies.

Comparison with Similar Compounds

Research Findings and Market Trends

Key Studies:

  • Medical Applications : Research confirms BaSO₄’s safety in infant formulae when used as a thickening agent, though concentrations must stay below 33% to avoid altering rheological properties .
  • Environmental Safety : BaSO₄’s insolubility minimizes ecological risks compared to BaCO₃, which contaminates water systems .

Market Insights:

  • The global this compound market is projected to reach $1.5 billion by 2030 , driven by demand in healthcare and plastics industries .
  • China remains a leading producer, with trade data indicating consistent export volumes of BaSO₄ for industrial coatings and polymers .

Biological Activity

Inhalation Studies

Recent studies have evaluated the fate of this compound nanoparticles (BaSO₄ NPs) when inhaled. One study demonstrated that barium from BaSO₄ NPs was cleared from the lungs faster than other poorly soluble nanoparticles. The translocation of barium primarily occurred to bone tissues, with significant concentrations found in the lungs, lymph nodes, and bones after prolonged exposure.

Table 1: Barium Concentrations in Various Tissues Post-Exposure

Tissue TypeBarium Concentration (µg/g)
Lungs285 (BaSO₄ NPs)
Lymph NodesNot specified
Hard BoneNot specified
Bone MarrowNot specified
LiverNot specified

Aspiration Cases

This compound aspiration can lead to severe respiratory complications. A comprehensive review of aspiration cases indicated that 75% of patients exhibited symptoms such as dyspnea and acute respiratory distress syndrome (ARDS). The mortality rate from this compound aspiration was reported to be around 36%, highlighting the potential risks associated with its use in diagnostic procedures.

Case Study: Aspiration Incident

  • Patient Profile : A 47-year-old female underwent a barium swallow examination.
  • Outcome : Post-examination, she experienced coughing and was found to have massive barium deposits in her lungs, leading to respiratory complications.

In Vitro Studies on Cellular Response

Research involving alveolar macrophages (NR8383 cells) exposed to various sizes of BaSO₄ particles indicated that these particles are taken up by cells but do not induce inflammatory or cytotoxic responses at concentrations up to 200 µg/mL. This suggests that while BaSO₄ can be internalized by cells, it does not trigger adverse biological responses under controlled conditions.

Table 2: Cellular Response to this compound Particle Sizes

Particle Size (μm)Uptake EfficiencyInflammatory Response
0.04HighNone
0.27HighNone
1.3ModerateNecrosis at high concentration

Clinical Implications

The clinical implications of this compound are significant, especially concerning its use as a contrast agent. While it is effective for imaging purposes, the potential for aspiration and subsequent respiratory complications necessitates careful consideration during administration.

Recommendations for Safe Use

  • Patient Assessment : Evaluate risk factors such as dysphagia or prior gastrointestinal surgeries.
  • Monitoring : Patients should be monitored closely during and after administration for signs of aspiration.
  • Emergency Protocols : Establish protocols for immediate intervention in case of aspiration incidents.

Q & A

Basic Research Questions

Q. What experimental methods are most reliable for quantifying barium sulfate solubility in aqueous systems under varying conditions?

To measure solubility, use gravimetric analysis paired with inductively coupled plasma mass spectrometry (ICP-MS) to account for trace barium ions. Control temperature (e.g., 18°C vs. 25°C) and ionic strength (e.g., using NaCl to simulate saline environments). Ensure equilibrium is reached by continuous stirring for >24 hours and validate results against the solubility product constant (Ksp = 1.08×10⁻¹⁰ at 25°C) . For high-precision studies, employ synchrotron X-ray absorption spectroscopy to monitor dissolution/precipitation kinetics in real time.

Q. How can researchers optimize the synthesis of this compound nanoparticles for controlled size and morphology?

Utilize co-precipitation methods with surfactants (e.g., sodium dodecyl sulfate) to regulate nucleation. Adjust parameters:

  • Barium chloride and sodium sulfate concentrations (0.1–0.5 M).
  • Mixing rate (500–2000 rpm) to control shear forces.
  • pH (4–10) to influence crystallinity. Characterize particles using dynamic light scattering (DLS) for size distribution and transmission electron microscopy (TEM) for morphology. Cross-validate with X-ray diffraction (XRD) to confirm crystallographic purity .

Q. What spectroscopic techniques are essential for confirming this compound purity in synthesized samples?

  • XRD : Identify crystalline phases; compare peaks to JCPDS card 24-1034.
  • Fourier-transform infrared spectroscopy (FTIR) : Detect organic contaminants (e.g., surfactant residues) via C-H stretching bands (2800–3000 cm⁻¹).
  • Thermogravimetric analysis (TGA) : Assess thermal stability; pure BaSO₄ shows <1% mass loss up to 1000°C.
  • Energy-dispersive X-ray spectroscopy (EDS) : Confirm elemental composition (Ba, S, O) .

Advanced Research Questions

Q. How can discrepancies in reported thermodynamic data for this compound (e.g., ΔG°f, solubility) be resolved in meta-analyses?

Conduct a systematic review using criteria:

  • Source validation : Prioritize studies with detailed methodology (e.g., temperature control ±0.1°C, inert atmosphere to prevent oxidation).
  • Data harmonization : Normalize values to standard conditions (25°C, 1 atm) using the Van’t Hoff equation.
  • Outlier analysis : Apply Grubbs’ test to exclude statistically anomalous datasets. Publish findings with uncertainty intervals and recommend protocols for future studies (e.g., ISO 5725 for precision testing) .

Q. What strategies mitigate interference from this compound’s low solubility when studying its reactivity in geochemical or biological systems?

  • Tracer techniques : Use ¹³³Ba-labeled BaSO₄ to track dissolution at sub-ppm levels via gamma spectroscopy.
  • Surface modification : Functionalize BaSO₄ with carboxylate groups to enhance dispersibility in aqueous media.
  • In situ microscopy : Employ atomic force microscopy (AFM) to observe surface reactions (e.g., phosphate adsorption) in simulated physiological fluids .

Q. How do polymorphic impurities (e.g., baryte vs. synthetic BaSO₄) affect catalytic performance in sulfate-radical advanced oxidation processes (SR-AOPs)?

Design experiments comparing natural baryte and lab-synthesized BaSO₄:

  • Activity testing : Measure persulfate activation efficiency via radical quenching (e.g., using methanol for •OH and tert-butanol for SO₄•⁻).
  • Surface analysis : Perform X-ray photoelectron spectroscopy (XPS) to quantify defect sites (e.g., oxygen vacancies).
  • Kinetic modeling : Fit data to Langmuir-Hinshelwood mechanisms to isolate polymorph-specific rate constants .

Q. Methodological Guidance for Data Interpretation

Q. What statistical approaches are appropriate for analyzing heterogeneous dissolution rates of this compound in multiphase systems?

Apply mixed-effects models to account for batch-to-batch variability. Use Kolmogorov-Smirnov tests to compare particle size distributions. For time-series data, fit to Avrami-Erofeev equations to discern nucleation-controlled vs. diffusion-controlled dissolution .

Q. How should researchers address conflicting reports on this compound’s biocompatibility in medical imaging vs. toxicity in environmental contexts?

  • Dose-response studies : Compare acute exposure (e.g., >500 mg/kg in rodents) vs. chronic low-dose leaching (e.g., <1 ppm in aquatic systems).
  • Speciation analysis : Use geochemical modeling (PHREEQC) to predict bioavailability in soil/water matrices.
  • In vitro assays : Test cytotoxicity (MTT assay) and inflammatory responses (IL-6/IL-8 ELISA) across cell lines .

Q. Tables for Key Data

Table 1. Comparison of Characterization Techniques for this compound

TechniqueDetection LimitKey OutputLimitations
XRD5 wt%Crystallite size, phase purityAmorphous content not detected
BET Surface Area0.1 m²/gSpecific surface areaPore size >2 nm required
ICP-MS0.1 ppbTrace Ba²⁺ quantificationRequires acid digestion

Preparation Methods

Traditional Precipitation Methods

Barium Carbonate and Sulfuric Acid

The reaction between barium carbonate (BaCO₃) and sulfuric acid (H₂SO₄) is a classical method for BaSO₄ production. The process involves the direct neutralization of BaCO₃ with H₂SO₄, yielding BaSO₄ and carbon dioxide (CO₂):
BaCO₃ + H₂SO₄ → BaSO₄↓ + CO₂↑ + H₂O\text{BaCO₃ + H₂SO₄ → BaSO₄↓ + CO₂↑ + H₂O}
While straightforward, this method faces challenges such as irregular particle size due to rapid CO₂ evolution and impurities from unreacted precursors. Recent innovations, such as the slurry transformation method , address these issues by replacing H₂SO₄ with soluble sulfates (e.g., Na₂SO₄) and incorporating recycling steps for byproducts like sodium carbonate (Na₂CO₃). For instance, slurrying BaCO₃ in water followed by Na₂SO₄ addition at 60°C for 2 hours produces BaSO₄ with 98.3% purity, while the resulting Na₂CO₃ is converted back to Na₂SO₄ using H₂SO₄, closing the material loop.

Barium Chloride and Sodium Sulfate

The metathesis reaction between barium chloride (BaCl₂) and sodium sulfate (Na₂SO₄) is another cornerstone of BaSO₄ synthesis:
BaCl₂ + Na₂SO₄ → BaSO₄↓ + 2NaCl\text{BaCl₂ + Na₂SO₄ → BaSO₄↓ + 2NaCl}
This method is favored for its high yield and simplicity. Studies optimizing reaction conditions demonstrate that increasing temperature from 30°C to 40°C enhances crust mass formation by 15–20%, while additives like citric acid improve particle dispersion and reduce agglomeration. For example, at 40°C with 0.1 M citric acid, BaSO₄ particles exhibit a narrow size distribution (0.5–2 µm) compared to broader ranges (1–5 µm) under additive-free conditions.

Barium Nitrate and Sodium Sulfate

In laboratory settings, barium nitrate (Ba(NO₃)₂) and Na₂SO₄ are frequently used due to their high solubility:
Ba(NO₃)₂ + Na₂SO₄ → BaSO₄↓ + 2NaNO₃\text{Ba(NO₃)₂ + Na₂SO₄ → BaSO₄↓ + 2NaNO₃}
This method produces ultrapure BaSO₄ (>99%) suitable for medical imaging. However, industrial adoption is limited by the cost of nitrate precursors and the need for extensive washing to remove residual NaNO₃5.

Advanced Synthesis Techniques

Slurry Transformation Method

The slurry transformation method (patent CN101481129B) represents a paradigm shift in BaSO₄ production, integrating four stages:

  • Slurrying : BaCO₃ is mixed with water or sulfate solutions (0.1–1.5 g/mL solid-liquid ratio).

  • Transformation : Soluble sulfates (e.g., Na₂SO₄, (NH₄)₂SO₄) are added at 15–95°C for 2–10 hours, ensuring controlled particle growth.

  • Washing : BaSO₄ filter cake is treated with dilute H₂SO₄ (2–20%) at 15–90°C to remove impurities.

  • Recovery : Byproducts are converted into reusable sulfates via CO₂ injection or H₂SO₄ treatment.

Example : Using Na₂SO₄ at 60°C yields 98.3% pure BaSO₄, while CO₂ from the reaction is recycled for NaHCO₃ production, achieving zero liquid discharge.

Reactor-Based Synthesis

Recent studies highlight the role of reactor design in tuning BaSO₄ morphology. Comparative experiments with four reactor types—stirred tank , high-shear mixer , ultrasonic , and Taylor-Couette —reveal that the Taylor-Couette reactor excels in producing flaky BaSO₄ due to its precise control of shear forces and residence time. At 500 rpm and 25°C, this reactor generates flakes with aspect ratios of 5:1, ideal for coatings and composites.

Factors Influencing this compound Preparation

Temperature Effects

Temperature critically impacts reaction kinetics and particle morphology. For the BaCl₂-Na₂SO₄ system, elevating temperature from 30°C to 40°C increases reaction rate by 30%, but excessive heat (>60°C) promotes irregular nucleation, broadening particle size distributions.

Additives and Mixing Conditions

Additives like citric acid and polyelectrolytes modify surface charge, preventing agglomeration. For instance, 0.1 M citric acid reduces average particle size from 3 µm to 0.8 µm by stabilizing nascent BaSO₄ nuclei. Similarly, ultrasonic reactors achieve 90% narrower size distributions than stirred tanks by enhancing micromixing.

Reactor Hydrodynamics

In Taylor-Couette reactors, the annular gap between rotating cylinders creates laminar flow, ensuring uniform shear. This setup produces monodisperse flakes (Figure 1), whereas turbulent regimes in stirred tanks yield polydisperse aggregates.

Environmental and Economic Considerations

Modern methods prioritize resource recovery and waste minimization. The slurry transformation method, for example, recycles 95% of process water and converts CO₂ into saleable NaHCO₃, reducing production costs by 20%. Additionally, replacing H₂SO₄ with (NH₄)₂SO₄ eliminates SO₄²⁻ effluent, mitigating environmental impact.

MethodReactantsTemperature (°C)Purity (%)Particle Size (µm)Key Advantage
Slurry TransformationBaCO₃ + Na₂SO₄6098.3–98.51–3Closed-loop recycling
BaCl₂-Na₂SO₄BaCl₂ + Na₂SO₄4097–980.5–5Tunable with additives
Taylor-Couette ReactorBaCl₂ + Na₂SO₄25990.5–2 (flaky)Morphology control

Table 2: Impact of Reactor Type on BaSO₄ Morphology

Reactor TypeShear Rate (s⁻¹)Dominant MorphologyAspect Ratio
Stirred Tank100–500Spherical1:1
High-Shear Mixer1,000–5,000Aggregates1:1
Taylor-Couette200–800Flaky5:1
UltrasonicN/ANanorods3:1

Retrosynthesis Analysis

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Feasible Synthetic Routes

Reactant of Route 1
Barium sulfate
Reactant of Route 2
Barium sulfate

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