trisodium hexachloroiridiumtriuide hydrate

• ChemBase ID: 146403
• Molecular Formular: Cl6H2IrNa3O
• Molecular Mass: 491.91959
• Monoisotopic Mass: 489.75591461
• SMILES: O.[Na+].[Na+].[Na+].Cl[Ir-3](Cl)(Cl)(Cl)(Cl)Cl
• Canonical SMILES: Cl[Ir-3](Cl)(Cl)(Cl)(Cl)Cl.O.[Na+].[Na+].[Na+]
• InChI: InChI=1S/6ClH.Ir.3Na.H2O/h6*1H;;;;;1H2/q;;;;;;+3;3*+1;/p-6
• InChIKey: DXIIVDVTQZORNM-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: trisodium hexachloroiridiumtriuide hydrate
• IUPAC Traditional name: trisodium hexachloroiridiumtriuide hydrate
• Synonyms: Sodium hexachloroiridate(III) hydrate; 六氯代铱(III)酸钠 水合物

Database IDs

• CAS Number: 123334-23-6
• EC Number: 239-047-9
• MDL Number: MFCD00149194
• PubChem SID: 24857322; 162240600
• PubChem CID: 56845692

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.807
• LogD (pH = 7.4): 3.807
• Log P: 3.807
• Molar Refractivity: 36.8178 cm^3
• Polarizability: 21.388313 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Linear Formula: Na3IrCl6 · xH2O

DETAILS

Sigma Aldrich - 288160

Packaging
1 g in glass bottle