barium(2+) ion diiodide

• ChemBase ID: 126031
• Molecular Formular: BaI2
• Molecular Mass: 391.13594
• Monoisotopic Mass: 391.714193
• SMILES: [Ba+2].[I-].[I-]
• Canonical SMILES: [I-].[I-].[Ba+2]
• InChI: InChI=1S/Ba.2HI/h;2*1H/q+2;;/p-2
• InChIKey: SGUXGJPBTNFBAD-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: barium(2+) ion diiodide
• IUPAC Traditional name: barium(2+) ion diiodide
• Synonyms: Barium iodide, ultra dry; Barium iodide; anhydrous; Barium iodide; 碘化钡, 超干

Database IDs

• CAS Number: 13718-50-8
• EC Number: 237-276-9
• MDL Number: MFCD00003452
• Merck Index: 14980
• PubChem SID: 162220373
• PubChem CID: 5462836
• Chemspider ID: 75507
• Wikipedia Title: Barium_iodide

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.2409753
• LogD (pH = 7.4): 1.2409753
• Log P: 1.0205557
• Molar Refractivity: 13.9462 cm^3
• Polarizability: 5.349007 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: -9.0

PROPERTIES

Physical Property

• Solubility: 221 g/100 mL in water; soluble in ethanol, acetone
• Apperance: -10 Mesh Beads, Ampouled under argon; White orthorhombic crystals (anhydrous) colorless crystals (dihydrate)
• Melting Point: 711°C (anhydrous) ; decomposes at 740°C (dihydrate); 740°C
• Density: 5.15; 5.15 g/cm^3 (anhydrous); 5.0 g/cm^3 (dihydrate)
• Std enthalpy of formation: -602.1 kJ·mol^-1

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
• Main Hazard: toxic
• GHS Hazard statements: H302-H332
• GHS Precautionary statements: P261-P264-P304+P340-P301+P312-P312-P501A

Product Information

• Purity: 99.995% (metals basis)