barium(2+) ion hydrate diiodate

• ChemBase ID: 147653
• Molecular Formular: BaH2I2O7
• Molecular Mass: 505.14762
• Monoisotopic Mass: 505.6942454
• SMILES: O.[O-][I](=O)=O.[O-][I](=O)=O.[Ba+2]
• Canonical SMILES: [O-][I](=O)=O.[O-][I](=O)=O.O.[Ba+2]
• InChI: InChI=1S/Ba.2HIO3.H2O/c;2*2-1(3)4;/h;2*(H,2,3,4);1H2/q+2;;;/p-2
• InChIKey: JFEZLZKLXGWZEC-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: barium(2+) ion hydrate diiodate
• IUPAC Traditional name: barium(2+) ion hydrate diiodate
• Synonyms: Barium iodate monohydrate; 碘酸钡 一水合物; 一水合碘化钡, 试剂级

Database IDs

• CAS Number: 7787-34-0
• EC Number: 234-152-6
• MDL Number: MFCD00239354
• Merck Index: 14979
• PubChem SID: 162241840; 24868106
• PubChem CID: 16212900

CALCULATED PROPERTIES

• Acid pKa: -32.990604
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.1981263
• LogD (pH = 7.4): -2.1981263
• Log P: 0.17827241
• Molar Refractivity: 17.6695 cm^3
• Polarizability: 8.199112 Å^3
• Polar Surface Area: 57.2 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Insoluble in alcohol. Soluble in water, nitric acid, hydrochloric acid
• Apperance: Powder
• Melting Point: dec.
• Density: 4.998

Safety Information

• European Hazard Symbols: Oxidising (O); X; Harmful (Xn)
• UN Number: 3087; UN3087
• German water hazard class: 1
• Hazard Class: 5.1
• Packing Group: 2; II
• Risk Statements: 20/22; 8-20/22
• Safety Statements: 17-28; 28.1
• TSCA Listed: 是
• GHS Pictograms: GHS03; GHS06
• GHS Hazard statements: H272-H301-H331
• GHS Precautionary statements: P221-P210-P301+P310-P321-P405-P501A
• RID/ADR: UN 3087 5.1/PG 2

Product Information

• Purity: 98%
• Linear Formula: Ba(IO3)2 · H2O

DETAILS

Sigma Aldrich - 444162

Packaging
100 g in glass bottle