λ2-iron(2+) ion tris(1,10-phenanthroline) diperchlorate

• ChemBase ID: 303137
• Molecular Formular: C36H24Cl2FeN6O8
• Molecular Mass: 795.36216
• Monoisotopic Mass: 794.03820462
• SMILES: c1cc2ccc3cccnc3c2nc1.c1cc2ccc3cccnc3c2nc1.c1cc2ccc3cccnc3c2nc1.[Fe+2].[Cl](=O)(=O)(=O)[O-].[Cl](=O)(=O)(=O)[O-]
• Canonical SMILES: c1ccc2c(n1)c1ncccc1cc2.c1ccc2c(n1)c1ncccc1cc2.c1ccc2c(n1)c1ncccc1cc2.[O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O.[Fe+2]
• InChI: InChI=1S/3C12H8N2.2ClHO4.Fe/c3*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*2-1(3,4)5;/h3*1-8H;2*(H,2,3,4,5);/q;;;;;+2/p-2
• InChIKey: QIZDTKUCQUZJHS-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^2-iron(2+) ion tris(1,10-phenanthroline) diperchlorate
• IUPAC Traditional name: λ^2-iron(2+) ion tris(phen) diperchlorate
• Synonyms: 1,10-Phenanthroline iron(II) perchlorate; 1,10-邻二氮杂菲高氯酸亚铁(II)盐

Database IDs

• CAS Number: 14586-54-0
• EC Number: 238-627-9
• MDL Number: MFCD00050959

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2141137
• LogD (pH = 7.4): 2.287525
• Log P: 2.2885551
• Molar Refractivity: 53.9006 cm^3
• Polarizability: 23.776546 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Crystalline

Safety Information

• European Hazard Symbols: Oxidising (O); Irritant (Xi)
• UN Number: UN1479
• Hazard Class: 5.1
• Packing Group: III
• Risk Statements: 8-36/37/38
• Safety Statements: 17-26-37-60
• TSCA Listed: 是
• GHS Pictograms: GHS03; GHS07
• GHS Hazard statements: H272-H315-H319-H335
• GHS Precautionary statements: P221-P210-P305+P351+P338-P302+P352-P405-P501A