barium(2+) ion dibromide

• ChemBase ID: 126027
• Molecular Formular: BaBr2
• Molecular Mass: 297.135
• Monoisotopic Mass: 295.741921
• SMILES: [Ba+2].[Br-].[Br-]
• Canonical SMILES: [Br-].[Br-].[Ba+2]
• InChI: InChI=1S/Ba.2BrH/h;2*1H/q+2;;/p-2
• InChIKey: NKQIMNKPSDEDMO-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: barium(2+) ion dibromide
• IUPAC Traditional name: barium(2+) ion dibromide
• Synonyms: Barium bromide, anhydrous; Barium bromide, ultra dry; Barium bromide; Barium bromide dihydrate, Puratronic®; 溴化钡, 无水; 溴化钡, 超干; 溴化钡二水合物, Puratronic®

Database IDs

• CAS Number: 7791-28-8; 10553-31-8
• EC Number: 234-140-0
• MDL Number: MFCD00149153; MFCD00003444
• Merck Index: 14968
• PubChem SID: 162220370
• PubChem CID: 5462743
• Chemspider ID: 59728
• Wikipedia Title: Barium_bromide

CALCULATED PROPERTIES

• Acid pKa: -8.0
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.0182534
• LogD (pH = 7.4): 1.0182534
• Log P: 0.797834
• Molar Refractivity: 8.5991 cm^3
• Polarizability: 3.2406807 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 92.2 g/100 mL (0°C) in water; Soluble in water; Very soluble in water, soluble in methanol
• Apperance: -10 Mesh Beads, Ampouled under argon; Powder; White solid
• Melting Point: 850°C; 857 °C
• Boiling Point: 1835 °C
• Density: 3.58; 4.78 g/cm^3 (anhydrous) ; 3.58 g/cm^3 (dihydrate); 4.781
• Std enthalpy of formation: −181.1 kcal/mol

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: X
• UN Number: UN1564
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/22; R20, R22
• Safety Statements: 28; S28
• 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%; 99.998% (metals basis); 99.999% (metals basis)