tribromoiridium hydrate

• ChemBase ID: 146228
• Molecular Formular: Br3H2IrO
• Molecular Mass: 449.94428
• Monoisotopic Mass: 447.72850168
• SMILES: O.Br[Ir](Br)Br
• Canonical SMILES: Br[Ir](Br)Br.O
• InChI: InChI=1S/3BrH.Ir.H2O/h3*1H;;1H2/q;;;+3;/p-3
• InChIKey: KBXXFKPVKJZGJG-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: tribromoiridium hydrate
• IUPAC Traditional name: tribromoiridium hydrate
• Synonyms: Iridium(III) bromide hydrate; 溴化铱(III) 水合物

Database IDs

• CAS Number: 317828-27-6
• EC Number: 233-174-3
• MDL Number: MFCD00274625
• PubChem SID: 162240427; 24867729
• PubChem CID: 16212879

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.8053
• LogD (pH = 7.4): 2.8053
• Log P: 2.8053
• Molar Refractivity: 26.2056 cm^3
• Polarizability: 18.361425 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: crystalline

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: IrBr3 · xH2O

DETAILS

Sigma Aldrich - 442119

Packaging
1 g in glass bottle