barium(2+) ion dihydrate dibromide

• ChemBase ID: 302876
• Molecular Formular: BaBr2O2
• Molecular Mass: 329.1338
• Monoisotopic Mass: 327.73175024
• SMILES: O.O.[Br-].[Br-].[Ba+2]
• Canonical SMILES: O.O.[Br-].[Br-].[Ba+2]
• InChI: InChI=1S/Ba.2BrH.2H2O/h;2*1H;2*1H2/q+2;;;;/p-2
• InChIKey: HQQMRSGBIPFNSN-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: barium(2+) ion dihydrate dibromide
• IUPAC Traditional name: barium(2+) ion dihydrate dibromide
• Synonyms: Barium bromide dihydrate; 溴化钡二水合物

Database IDs

• CAS Number: 7791-28-8
• EC Number: 234-140-0
• MDL Number: MFCD00149153
• Merck Index: 14968

CALCULATED PROPERTIES

• Acid pKa: 15.7
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.652
• LogD (pH = 7.4): -0.652
• Log P: -0.652
• Molar Refractivity: 3.7 cm^3
• Polarizability: 1.4714895 Å^3
• Polar Surface Area: 25.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Very soluble in water, soluble in methanol
• Apperance: Crystalline
• Density: 3.58

Safety Information

• European Hazard Symbols: X
• UN Number: UN1564
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/22
• Safety Statements: 28
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H302-H332
• GHS Precautionary statements: P261-P264-P304+P340-P301+P312-P312-P501A

Product Information

• Purity: 99.3%