nonakis(methanidylidyneoxidanium) diiron

• ChemBase ID: 127049
• Molecular Formular: C9Fe2O9
• Molecular Mass: 363.7809
• Monoisotopic Mass: 363.82410658
• SMILES: [Fe].[Fe].[C-]#[O+].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-]
• Canonical SMILES: [O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[O+]#[C-].[Fe].[Fe]
• InChI: InChI=1S/9CO.2Fe/c9*1-2
• InChIKey: JCXLZXJCZPKTBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: nonakis(methanidylidyneoxidanium) diiron
• IUPAC Traditional name: nonakis(carbon monoxide) diiron
• Synonyms: Iron enneacarbonyl; Diiron nonacarbonyl; Diiron nonacarbonyl; Iron nonacarbonyl; Nonacarbonyldiiron; 九羰基合二铁

Database IDs

• CAS Number: 15321-51-4
• EC Number: 239-359-5
• MDL Number: MFCD00151465
• PubChem SID: 162221372
• PubChem CID: 6096993
• Chemspider ID: 4807522
• Wikipedia Title: Diiron_nonacarbonyl

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: true

PROPERTIES

Physical Property

• Solubility: insoluble in water
• Apperance: Crystalline; orange crystals
• Melting Point: ca 100°C dec.; decomposes at 100 °C
• Boiling Point: decomposes
• Density: 2.08 g/cm^3; 2.85

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Flammable (F); Toxic (T)
• UN Number: UN3179
• Hazard Class: 4.1
• Packing Group: II
• Risk Statements: 11-23/25
• Safety Statements: 16-36-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS06
• Main Hazard: Toxic
• GHS Hazard statements: H228-H301-H330
• GHS Precautionary statements: P210-P280F-P304+P340-P310

Product Information

• Purity: 99%