barium(2+) ion hydrate diperchlorate

• ChemBase ID: 150507
• Molecular Formular: BaCl2H2O9
• Molecular Mass: 354.24348
• Monoisotopic Mass: 353.812834
• SMILES: O.[O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O.[Ba+2]
• Canonical SMILES: [O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O.O.[Ba+2]
• InChI: InChI=1S/Ba.2ClHO4.H2O/c;2*2-1(3,4)5;/h;2*(H,2,3,4,5);1H2/q+2;;;/p-2
• InChIKey: QFLSNJWWQIFSOQ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: barium(2+) ion hydrate diperchlorate
• IUPAC Traditional name: barium(2+) ion hydrate diperchlorate
• Synonyms: Barium perchlorate hydrate; 高氯酸钡 水合物

Database IDs

• CAS Number: 69102-74-5
• EC Number: 236-710-4
• MDL Number: MFCD00149149
• PubChem SID: 24847355; 162244668; 24861061
• PubChem CID: 16211221

CALCULATED PROPERTIES

• Acid pKa: -6.8919964
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.4740524
• LogD (pH = 7.4): -2.4740524
• Log P: -0.097653694
• Molar Refractivity: 11.9079 cm^3
• Polarizability: 5.355259 Å^3
• Polar Surface Area: 74.27 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: crystals
• Refractive Index: n20/D 1.533(lit.)

Safety Information

• European Hazard Symbols: Oxidising (O); Harmful (Xn)
• UN Number: 1447
• German water hazard class: 1
• Hazard Class: 5.1
• Packing Group: 2
• Risk Statements: 9-20/22
• Safety Statements: 27
• GHS Pictograms: GHS03; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H271-H302-H332
• GHS Precautionary statements: P220
• Personal Protective Equipment: Eyeshields, 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 1447 5.1/PG 2

Product Information

• Purity: ≥99.0%; ≥99.0% (KT); 98%
• Cation Traces: Ca: ≤50 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Fe: ≤5 mg/kg; K: ≤50 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Na: ≤50 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Sr: ≤500 mg/kg; Zn: ≤5 mg/kg
• Antion Traces: chloride, chlorate (as Cl-): ≤200 mg/kg
• Linear Formula: Ba(ClO4)2 · xH2O

DETAILS

Sigma Aldrich - 342394

Packaging
250 g in glass bottle