oxobarium

• ChemBase ID: 107805
• Molecular Formular: BaO
• Molecular Mass: 153.3264
• Monoisotopic Mass: 153.90016162
• SMILES: O=[Ba]
• Canonical SMILES: O=[Ba]
• InChI: InChI=1S/Ba.O
• InChIKey: QVQLCTNNEUAWMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxobarium
• IUPAC Traditional name: barium oxide
• Synonyms: Barium oxide; BARIUM OXIDE; Barium monoxide; Barium protoxide; Calcined baryta; 氧化钡

Database IDs

• CAS Number: 1304-28-5
• EC Number: 215-127-9
• MDL Number: MFCD00003453
• PubChem SID: 162095459; 24853391; 24857344; 24879435
• PubChem CID: 62392; 62393
• Chemspider ID: 56180
• Wikipedia Title: Barium_oxide

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.5514003
• LogD (pH = 7.4): -0.5514
• Log P: -0.5514
• Molar Refractivity: 1.4429 cm^3
• Polarizability: 6.617499 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 3.48 g/100 mL (20 °C) ; 90.8 g/100 mL (100 °C) in water; soluble in ethanol, dilute mineral acids and alkalies; insoluble in acetone and liquid ammonia
• Apperance: powder; powder and chunks; white solid
• Melting Point: 1923 °C
• Boiling Point: ~2000 °C
• Flash Point: non-flammable
• Density: 5.72 g/cm^3, solid; 5.72 g/mL at 25 °C(lit.)
• Std enthalpy of formation: -582 kJ·mol^-1
• Std molar entropy: 70 J·mol^-1·K^-1

Safety Information

• RTECS: CQ9800000
• European Hazard Symbols: Toxic (T); Harmful (Xn)
• UN Number: 1884
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 20-25-34; R:20/22; R20/22
• Safety Statements: 26-36/37/39-45; S:28; S2, S28
• EU Index: 056-002-00-7
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• NFPA704:
  

  0

  3

  2
• GHS Hazard statements: H301-H314-H332
• GHS Precautionary statements: P280-P301 + P310-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1884 6.1/PG 3

Product Information

• Purity: 90%; 97%; 99.99% trace metals basis
• Grade: technical grade
• Impurities: 1-4% adsorbed H2O/CO2
• Linear Formula: BaO

DETAILS

MP Biomedicals - 05205086

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 223603

Features and Benefits
Used in the synthesis of the high-κ material BST (barium strontium titanate).1 Used in the study of NOX storage.1,2
Packaging
2 kg in glass bottle
500 g in glass bottle

Sigma Aldrich - 288497

Features and Benefits
Used in the synthesis of the high-κ material BST (barium strontium titanate).1 Used in the study of NOX storage.1,2
Packaging
50, 250 g in glass bottle

Sigma Aldrich - 554847

Features and Benefits
Used in the synthesis of the high-κ material BST (barium strontium titanate).1 Used in the study of NOX storage.1,2
Packaging
5, 25 g in glass bottle