barium(2+) ion dichlorate

• ChemBase ID: 109657
• Molecular Formular: BaCl2O6
• Molecular Mass: 304.2294
• Monoisotopic Mass: 303.81244008
• SMILES: [Ba+2].[O-][Cl](=O)=O.[O-][Cl](=O)=O
• Canonical SMILES: [O-][Cl](=O)=O.[O-][Cl](=O)=O.[Ba+2]
• InChI: InChI=1S/Ba.2ClHO3/c;2*2-1(3)4/h;2*(H,2,3,4)/q+2;;/p-2
• InChIKey: ISFLYIRWQDJPDR-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: barium(2+) ion dichlorate
• IUPAC Traditional name: barium(2+) dichlorate; barium(2+) ion dichlorate
• Synonyms: BARIUM CHLORATE; Chloric acid barium salt

Database IDs

• CAS Number: 13477-00-4
• EC Number: 236-760-7
• PubChem SID: 162088930
• PubChem CID: 26059
• Chemspider ID: 24273
• Wikipedia Title: Barium_chlorate

CALCULATED PROPERTIES

• Acid pKa: -4.672161
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.3354366
• LogD (pH = 7.4): -2.3354366
• Log P: 0.040962167
• Molar Refractivity: 10.465 cm^3
• Polarizability: 4.606249 Å^3
• Polar Surface Area: 57.2 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 27.5 g/100 ml (20 °C) in water
• Apperance: white solid
• Melting Point: 413.9 °C
• Density: 3.18 g/cm^3, solid

Safety Information

• RTECS: FN9770000
• European Hazard Symbols: Oxidising (O); Harmful (Xn)
• Risk Statements: R:9-20/22; R9, R20/22
• Safety Statements: S:13-27; S13, S27
• NFPA704:
  

  0

  3

  3

  OX