calcium diiodate

• ChemBase ID: 109799
• Molecular Formular: CaI2O6
• Molecular Mass: 389.88334
• Monoisotopic Mass: 389.7410247
• SMILES: [Ca+2].[O-][I](=O)=O.[O-][I](=O)=O
• Canonical SMILES: [O-][I](=O)=O.[O-][I](=O)=O.[Ca+2]
• InChI: InChI=1S/Ca.2HIO3/c;2*2-1(3)4/h;2*(H,2,3,4)/q+2;;/p-2
• InChIKey: UHWJJLGTKIWIJO-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: calcium diiodate
• IUPAC Traditional name: calcium(2+) diiodate; calcium diiodate
• Synonyms: CALCIUM IODATE; Calcium iodate; Lautarite; 碘酸钙

Database IDs

• CAS Number: 7789-80-2
• EC Number: 232-191-3
• MDL Number: MFCD00036265
• PubChem SID: 24860970; 162089326
• PubChem CID: 24619
• Chemspider ID: 23021
• Wikipedia Title: Calcium_iodate

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: true

PROPERTIES

Physical Property

• Solubility: 0.09 g/100 mL (0 °C) ; 0.24 g/100 mL (20 °C) ; 0.67 g/100 mL (90 °C) in water; ethanol: insoluble; nitric acid: slightly soluble; soluble in nitric acid ; insoluble in alcohol
• Apperance: powder; white solid
• Melting Point: 540 °C (monohydrate)
• Boiling Point: decomposes
• Flash Point: non-flammable
• Density: 4.519 g/cm^3 (monohydrate); 4.520 g/mL(lit.)

Safety Information

• European Hazard Symbols: Oxidising (O); Irritant (Xi)
• UN Number: 1479
• German water hazard class: 3
• Hazard Class: 5.1
• Packing Group: 2
• Risk Statements: 8-36/37/38
• Safety Statements: 16-17-26-36
• EU Index: not listed
• GHS Pictograms: GHS03; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H272-H315-H319-H335
• GHS Precautionary statements: P220-P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1479 5.1/PG 2

Product Information

• Purity: 98%
• Linear Formula: Ca(IO3)2

DETAILS

MP Biomedicals - 05212621

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 341606

Packaging
100 g in glass bottle