barium(2+) ion carbonate

• ChemBase ID: 103636
• Molecular Formular: CBaO3
• Molecular Mass: 197.3359
• Monoisotopic Mass: 197.88999086
• SMILES: [Ba+2].[O-]C(=O)[O-]
• Canonical SMILES: [O-]C(=O)[O-].[Ba+2]
• InChI: InChI=1S/CH2O3.Ba/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2
• InChIKey: AYJRCSIUFZENHW-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: barium(2+) ion carbonate
• IUPAC Traditional name: barium(2+) CO3; barium(2+) ion carbonate
• Synonyms: Barium carbonate, Puratronic®; Barium carbonate, ACS; Barium carbonate, tech.; Carbonic acid Barium Salt; BARIUM CARBONATE, ACS; Barium carbonate; Witherite; Barium carbonate; 碳酸钡, Puratronic®; 碳酸钡, ACS; 碳酸钡, tech.; 碳酸钡

Database IDs

• CAS Number: 513-77-9
• EC Number: 208-167-3
• MDL Number: MFCD00003448
• Beilstein Number: 7045119
• Merck Index: 14969
• PubChem SID: 24847324; 24859789; 24847325; 162091346; 24854217; 24852112
• PubChem CID: 10563
• Chemspider ID: 10121
• Unique Ingredient Identifier: 6P669D8HQ8
• Wikipedia Title: Barium_carbonate

CALCULATED PROPERTIES

• Acid pKa: 6.0525417
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.142811
• LogD (pH = 7.4): -1.1138874
• Log P: 0.25005138
• Molar Refractivity: 31.1724 cm^3
• Polarizability: 3.6386902 Å^3
• Polar Surface Area: 63.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 0.0024 g/100 mL (20 °C) in water; Almost insoluble in water. Soluble in NH4Cl solution, dilute HCl, HNO3, acetic acid. Insoluble in most alkalies
• Apperance: 1 Micron Powder; -22 Mesh Powder; Lump/Powder; powder; Powder; powder and chunks; white crystals
• Melting Point: 1400-1740°C; 811 °C; 811°C
• Boiling Point: 1360 °C (decomp); dec.
• Flash Point: Non-flammable
• Density: 4.286 g/cm^3; 4.3 g/ml; 4.43
• Refractive Index: 1.60
• Vapor Pressure: 0
• Std enthalpy of formation: -1219 kJ·mol^-1
• Std molar entropy: 112 J·mol^-1·K^-1

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: CQ800000; CQ8600000
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: 1564
• German water hazard class: nwg
• Hazard Class: 6.1
• Packing Group: III
• Australian Hazchem: 2Z
• Risk Statements: 22; R:22; R22
• Safety Statements: 2-24/25; 24/25; S:24/25; S2, S24/25
• EU Classification: T5
• EU Hazard Identification Number: 6.1B
• Emergency Response Guidebook(ERG) Number: 154
• TSCA Listed: 是
• EU Index: 056-003-00-2
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• NFPA704:
  

  0

  2

  0
• LD50: 418 mg/kg, oral (rat)
• GHS Hazard statements: H302
• GHS Precautionary statements: P264-P270-P301+P312-P330-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: ≥98.0%; ≥98.5% (KT); ≥99%; ≥99.0%; 99%; 99.0-101.0%; 99.0-101.0% (ACS specification); 99.8%; 99.95% (metals basis); 99.98% trace metals basis; 99.997% (metals basis); 99.999% trace metals basis
• Grade: ACS; ACS reagent; CP; puriss. p.a.; purum p.a.; REAGENT; SAJ first grade; SAJ special grade
• Impurities: ≤0.002 meq/g water-soluble titr. base; ≤0.002 meq/g Water-soluble titratable base; ≤0.005% oxidizers; ≤0.005% Oxidizing substances (as NO3); ≤0.015% insol. dil. HCl; ≤0.015% Insoluble in dilute hydrochloric acid
• Cation Traces: Ca: ≤0.05%; Ca: ≤1000 mg/kg; Ca: ≤500 mg/kg; Cd: ≤5 mg/kg; Cd: ≤50 mg/kg; Co: ≤5 mg/kg; Co: ≤50 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Cu: ≤50 mg/kg; Fe: ≤0.002%; Fe: ≤5 mg/kg; Fe: ≤50 mg/kg; heavy metals (as Pb): ≤0.001%; K: ≤0.005%; K: ≤100 mg/kg; K: ≤50 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Na: ≤0.02%; Na: ≤2000 mg/kg; Na: ≤50 mg/kg; Ni: ≤5 mg/kg; Ni: ≤50 mg/kg; Pb: ≤5 mg/kg; Pb: ≤50 mg/kg; Sr: ≤0.7%; Sr: ≤1.5%; Sr: ≤7000 mg/kg; Zn: ≤5 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤0.002%; chloride (Cl-): ≤20 mg/kg; chloride (Cl-): ≤300 mg/kg; S2-: ≤0.001%; sulfide (S2-): ≤0.001%; sulfide (S2-): ≤10 mg/kg
• Linear Formula: BaCO3

DETAILS

MP Biomedicals - 02152501

ACS Reagent Grade

Sigma Aldrich - 329436

Packaging
25, 100 g in poly bottle

Sigma Aldrich - 202711

Packaging
25, 100 g in poly bottle

Sigma Aldrich - 237108

Packaging
2.5 kg in poly bottle
500 g in poly bottle