dodecakis(methanidylidyneoxidanium) tetrairidium

• ChemBase ID: 148038
• Molecular Formular: C12Ir4O12
• Molecular Mass: 1104.9892
• Monoisotopic Mass: 1107.79067944
• SMILES: [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Ir].[Ir].[Ir].[Ir]
• Canonical SMILES: [O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/12CO.4Ir/c12*1-2
• InChIKey: XWDKRVSSHIJNJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dodecakis(methanidylidyneoxidanium) tetrairidium
• IUPAC Traditional name: dodecakis(carbon monoxide) tetrairidium
• Synonyms: Iridium carbonyl; Tetrairidium dodecacarbonyl; Tetrairidium dodecacarbonyl; Dodecacarbonyltetrairidium; 十二羰基四铱

Database IDs

• CAS Number: 11065-24-0
• MDL Number: MFCD00011064
• PubChem SID: 24858040; 162242217
• PubChem CID: 11967617

CALCULATED PROPERTIES

• Acid pKa: 15.189176
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -3.9616656
• LogD (pH = 7.4): -3.9616656
• Log P: -3.9616656
• Molar Refractivity: 26.2298 cm^3
• Polarizability: 2.2798557 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: THF: slightly soluble; toluene: slightly soluble
• Apperance: powder; Powder
• Melting Point: 195 °C (dec.)(lit.); 195°C dec.

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Toxic (T); Harmful (Xn)
• UN Number: UN3466
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: II
• Risk Statements: 20/21/22; 23/25
• Safety Statements: 36; 4-9-20-36-45-60
• TSCA Listed: 否
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H300-H330; H302-H312-H332
• GHS Precautionary statements: P260-P301+P310-P304+P340-P320-P330-P405-P501A; P280
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%
• Linear Formula: Ir4(CO)12

DETAILS

Sigma Aldrich - 299391

Packaging
500 mg in glass bottle