diiodobarium dihydrate

• ChemBase ID: 144762
• Molecular Formular: BaH4I2O2
• Molecular Mass: 427.1665
• Monoisotopic Mass: 427.73532237
• SMILES: O.O.I[Ba]I
• Canonical SMILES: I[Ba]I.O.O
• 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: diiodobarium dihydrate
• IUPAC Traditional name: diiodobarium dihydrate
• Synonyms: Barium iodide dihydrate; 碘化钡 二水合物

Database IDs

• CAS Number: 7787-33-9
• EC Number: 237-276-9
• MDL Number: MFCD00149155
• PubChem SID: 24853405; 162238974; 24880285
• PubChem CID: 16211602

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.6672
• LogD (pH = 7.4): 1.6672
• Log P: 1.6672
• Molar Refractivity: 26.6816 cm^3
• Polarizability: 17.541119 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder and chunks
• Density: 5.15 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• UN Number: 1564
• German water hazard class: 1
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 20/22
• Safety Statements: 28
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302 + H332; H302-H332
• GHS Precautionary statements: P264
• RID/ADR: UN 1564 6.1/PG 3

Product Information

• Purity: ≥95%; 98%
• Linear Formula: Bal2 · 2H2O

DETAILS

Sigma Aldrich - 223808

Packaging
50 g in glass bottle

Sigma Aldrich - 566268

Packaging
25 g in amber poly