dibromobarium dihydrate

• ChemBase ID: 104128
• Molecular Formular: BaBr2H4O2
• Molecular Mass: 333.16556
• Monoisotopic Mass: 331.76305037
• SMILES: O.O.Br[Ba]Br
• Canonical SMILES: Br[Ba]Br.O.O
• 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: dibromobarium dihydrate
• IUPAC Traditional name: dibromobarium dihydrate
• Synonyms: BARIUM BROMIDE

Database IDs

• CAS Number: 7791-28-8
• PubChem SID: 162091579
• PubChem CID: 44134565

CALCULATED PROPERTIES

• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.6702
• LogD (pH = 7.4): 1.6702
• Log P: 1.6702
• Molar Refractivity: 17.4704 cm^3
• Polarizability: 12.94067 Å^3
• Polar Surface Area: 0.0 Å^2

PROPERTIES

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• European Hazard Symbols: Harmful (Xn)
• UN Number: 1564
• Hazard Class: 6.1
• Packing Group: III
• Australian Hazchem: 2Z
• Risk Statements: R:20/22
• Safety Statements: S:28
• EU Classification: T5
• EU Hazard Identification Number: 6.1B
• Emergency Response Guidebook(ERG) Number: 154

DETAILS

MP Biomedicals - 02154810

Crystalline Dihydrate