barium(2+) ion dihydrate diiodide

• ChemBase ID: 108365
• Molecular Formular: BaI2O2
• Molecular Mass: 423.13474
• Monoisotopic Mass: 423.70402224
• SMILES: O.O.[I-].[I-].[Ba+2]
• Canonical SMILES: O.O.[I-].[I-].[Ba+2]
• InChI: InChI=1S/Ba.2HI.2H2O/h;2*1H;2*1H2/q+2;;;;/p-2
• InChIKey: LRUCFPBOVNFNMO-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: barium(2+) ion dihydrate diiodide
• IUPAC Traditional name: barium(2+) ion dihydrate diiodide; barium(2+) dihydrate diiodide
• Synonyms: Barium iodide hydrate; BARIUM IODIDE; 碘化钡水合物

Database IDs

• CAS Number: 7787-33-9; 13718-50-8
• EC Number: 237-276-9
• MDL Number: MFCD00003452
• Merck Index: 14980
• PubChem SID: 162094294
• PubChem CID: 17749110

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: Freely soluble in water. Soluble in alcohol and acetone
• Apperance: Powder

Safety Information

• Storage Warning: Light Sensitive & Hygroscopic
• 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: 95%

DETAILS

MP Biomedicals - 05207117

MP Biomedicals Rare Chemical collection