dichloroiron; tetrakis(pyridine)

• ChemBase ID: 134538
• Molecular Formular: C20H20Cl2FeN4
• Molecular Mass: 443.1506
• Monoisotopic Mass: 442.04143952
• SMILES: c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.Cl[Fe]Cl
• Canonical SMILES: c1cccnc1.c1cccnc1.c1cccnc1.c1cccnc1.Cl[Fe]Cl
• InChI: InChI=1S/4C5H5N.2ClH.Fe/c4*1-2-4-6-5-3-1;;;/h4*1-5H;2*1H;/q;;;;;;+2/p-2
• InChIKey: KVQSAWIBLUAVAB-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloroiron; tetrakis(pyridine)
• IUPAC Traditional name: ferrous chloride; tetrakis(pyridine)
• Synonyms: Tetrapyridineiron(III) chloride; Dichlorotetrakis(pyridine)iron; 四吡啶三氯化铁; 二氯四(吡啶)铁

Database IDs

• CAS Number: 15138-92-8
• MDL Number: MFCD10567427
• PubChem SID: 162228814; 24880831
• PubChem CID: 15809771

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.6230428
• LogD (pH = 7.4): 0.75354445
• Log P: 0.7555734
• Molar Refractivity: 23.9011 cm^3
• Polarizability: 9.4423685 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder
• Melting Point: >300 °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

• Empirical Formula (Hill Notation): C20H20Cl2FeN4