trisodium hexanitroiridiumtriuide

• ChemBase ID: 134649
• Molecular Formular: IrN6Na3O12
• Molecular Mass: 537.21931
• Monoisotopic Mass: 537.88965331
• SMILES: [N+](=O)([O-])[Ir-3]([N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-].[Na+].[Na+].[Na+]
• Canonical SMILES: [O-][N+](=O)[Ir-3]([N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-].[Na+].[Na+].[Na+]
• InChI: InChI=1S/Ir.6NO2.3Na/c;6*2-1-3;;;/q-3;;;;;;;3*+1
• InChIKey: JNDYLMQGFURTNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trisodium hexanitroiridiumtriuide
• IUPAC Traditional name: trisodium hexanitroiridiumtriuide
• Synonyms: Sodium hexanitroiridate(III); 六亚硝基铱(III)酸钠

Database IDs

• CAS Number: 142048-03-1
• MDL Number: MFCD00064621
• PubChem SID: 24881169; 162228925
• PubChem CID: 16717650

CALCULATED PROPERTIES

• H Acceptors: 12
• H Donor: 0
• LogD (pH = 5.5): 2.388
• LogD (pH = 7.4): 2.388
• Log P: 2.388
• Molar Refractivity: 47.4504 cm^3
• Polarizability: 23.27392 Å^3
• Polar Surface Area: 274.92 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: powder
• Melting Point: 347-358 °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: 99.99% trace metals basis
• Linear Formula: Na3Ir(NO2)6