trichloroiridium hydrate

• ChemBase ID: 145492
• Molecular Formular: Cl3H2IrO
• Molecular Mass: 316.59128
• Monoisotopic Mass: 315.88004872
• SMILES: O.Cl[Ir](Cl)Cl
• Canonical SMILES: Cl[Ir](Cl)Cl.O
• InChI: InChI=1S/3ClH.Ir.H2O/h3*1H;;1H2/q;;;+3;/p-3
• InChIKey: MJRFDVWKTFJAPF-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: trichloroiridium hydrate
• IUPAC Traditional name: trichloroiridium hydrate
• Synonyms: Iridium trichloride hydrate; Iridium(III) chloride hydrate; IrCl3; 三氯化铱 水合物; 氯化铱(III) 水合物

Database IDs

• CAS Number: 14996-61-3
• EC Number: 233-044-6
• MDL Number: MFCD00149749
• PubChem SID: 24852176; 24852388; 162239697
• PubChem CID: 16211477

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.9035
• LogD (pH = 7.4): 1.9035
• Log P: 1.9035
• Molar Refractivity: 18.4089 cm^3
• Polarizability: 14.595319 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: crystals and lumps
• Density: 5.3 g/mL at 25 °C(lit.)

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

• Purity: 99.9% trace metals basis
• Grade: reagent grade
• Linear Formula: IrCl3 · xH2O

DETAILS

Sigma Aldrich - 206245

Application
Used for the preparation of other iridium compounds such as Vaska′s complex, trans-[IrCl(CO)(PPh3)2].
Packaging
1, 5 g in glass bottle

Sigma Aldrich - 203491

Packaging
1 g in glass bottle