barium(2+) ion sulfate

• ChemBase ID: 126034
• Molecular Formular: BaO4S
• Molecular Mass: 233.3896
• Monoisotopic Mass: 233.85697648
• SMILES: [Ba+2].[O-]S(=O)(=O)[O-]
• Canonical SMILES: [O-]S(=O)(=O)[O-].[Ba+2]
• InChI: InChI=1S/Ba.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
• InChIKey: TZCXTZWJZNENPQ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: barium(2+) ion sulfate
• IUPAC Traditional name: barium(2+) ion sulfate
• Synonyms: Barium sulfate, Puratronic®; Barium sulfate; Barium sulfate; Baryte; Barii sulfas; Barium sulfate, precipitated; 硫酸钡, Puratronic®; 重晶石; 硫酸钡; 硫酸钡; 硫酸钡, 沉淀型

Database IDs

• CAS Number: 7727-43-7
• EC Number: 231-784-4
• MDL Number: MFCD00003455
• Merck Index: 14994
• PubChem SID: 24847165; 24854610; 24852116; 162220375; 24892087
• PubChem CID: 24414
• ATC CODE: V08BA01
• Chemspider ID: 22823
• Unique Ingredient Identifier: 25BB7EKE2E
• Wikipedia Title: Barium_sulfate

CALCULATED PROPERTIES

• Acid pKa: -3.034349
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -5.569452
• LogD (pH = 7.4): -5.594027
• Log P: -0.841552
• Molar Refractivity: 11.5274 cm^3
• Polarizability: 6.037845 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 0.0002448 g/100 mL (20 °C) ; 0.000285 g/100 mL (30 °C) in water; insoluble in alcohol, soluble in concentrated sulfuric acid; Insoluble in water, dilute acids, alcohol. Soluble in hot, concentrated H2SO4
• Apperance: 1-4 Micron Powder; powder; Powder; white crystalline
• Melting Point: 1345 °C; 1580°C dec.
• Boiling Point: 1600 °C (decomp)
• Density: 4.5; 4.5 g/cm^3
• Refractive Index: 1.64
• Odor: odorless
• Std enthalpy of formation: -1465 kJ·mol^-1
• Std molar entropy: 132 J·mol^-1·K^-1
• Solubility Product (Ksp): 1.0842 × 10^-10 (25 °C)

Safety Information

• RTECS: CR060000; CR0600000
• German water hazard class: 3; nwg
• Safety Statements: R
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• NFPA704:
  

  0

  0

  0
• GHS Hazard statements: H302 + H332
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Pharmacology Properties

• Bioavailability: negligible orally

Product Information

• Purity: 97%; 97.5-100.5%; 99%; 99.998% (metals basis); 99.998% trace metals basis
• Grade: Ph Eur; puriss.; purum p.a.; ReagentPlus®; SAJ special grade
• Particle Size: 2.4-4.8 μm
• Suitability: meets USP testing specifications
• Impurities: ≤0.001% heavy metals (as Pb); ≤0.3% soluble in acid; acidity or alkalinity, complies; oxidisable S-compounds, complies; residual solvents, complies; soluble Barium salts, complies
• Cation Traces: Ca: ≤1000 mg/kg; Cd: ≤50 mg/kg; Co: ≤50 mg/kg; Cu: ≤50 mg/kg; Fe: ≤50 mg/kg; K: ≤100 mg/kg; Na: ≤1000 mg/kg; Ni: ≤50 mg/kg; Pb: ≤50 mg/kg; Zn: ≤500 mg/kg
• Antion Traces: chloride (Cl-): ≤1000 mg/kg
• Loss on Drying: ≤2% loss on ignition; ≤2% loss on ignition, 600 °C
• Quality: meets analytical specification of Ph. Eur., BP; precipitated
• Pharmacopeia: testing & handling conforms to Pharmacopeia
• Linear Formula: BaSO4

DETAILS

Sigma Aldrich - 202762

Packaging
20, 100 g in poly bottle

Sigma Aldrich - 243353

Packaging
1 kg in poly bottle
100, 500 g in poly bottle
25 kg in fiber drum
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC