diiodocalcium hydrate

• ChemBase ID: 105703
• Molecular Formular: CaH2I2O
• Molecular Mass: 311.90222
• Monoisotopic Mass: 311.78210166
• SMILES: O.I[Ca]I
• Canonical SMILES: I[Ca]I.O
• InChI: InChI=1S/Ca.2HI.H2O/h;2*1H;1H2/q+2;;;/p-2
• InChIKey: XIRQETYMJRSWOH-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: diiodocalcium hydrate
• IUPAC Traditional name: diiodocalcium hydrate
• Synonyms: CALCIUM IODIDE; Calcium iodide hydrate

Database IDs

• CAS Number: 71626-98-7
• EC Number: 233-276-8
• MDL Number: MFCD00149622
• PubChem SID: 24852515; 162092854
• PubChem CID: 16211521

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.3672
• LogD (pH = 7.4): 1.3672
• Log P: 1.3672
• Molar Refractivity: 26.6816 cm^3
• Polarizability: 14.374225 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 783 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 98%
• Compostion: Degree of hydration, 4-6
• Linear Formula: CaI2·xH2O

DETAILS

MP Biomedicals - 02193799

Hydrate
Usually contains 4-6 moles of water.

Sigma Aldrich - 208477

Packaging
100, 500 g in glass bottle