iron(3+) ion ammonium hexacyanoirontetrauide

• ChemBase ID: 295763
• Molecular Formular: C6H4Fe2N7
• Molecular Mass: 285.83286
• Monoisotopic Mass: 285.92269316
• SMILES: C(#N)[Fe-4](C#N)(C#N)(C#N)(C#N)C#N.[NH4+].[Fe+3]
• Canonical SMILES: N#C[Fe-4](C#N)(C#N)(C#N)(C#N)C#N.[NH4+].[Fe+3]
• InChI: InChI=1S/6CN.2Fe.H3N/c6*1-2;;;/h;;;;;;;;1H3/q;;;;;;-4;+3;/p+1
• InChIKey: VVZLXCQVLWQHDW-UHFFFAOYSA-O

NAMES AND DATABASE IDS

Names

• IUPAC name: iron(3+) ion ammonium hexacyanoirontetrauide
• IUPAC Traditional name: iron(3+) ion ammonium ferrocyanide
• Synonyms: Ferric ammonium ferrocyanide; Giese Salt; Ammonium iron(III) hexacyanoferrate(II) hydrate, tech.; 水合六氰合铁(II)酸铁(III)铵, tech.

Database IDs

• CAS Number: 25869-00-5
• EC Number: 247-304-1
• MDL Number: MFCD01726733
• Merck Index: 147910
• PubChem SID: 180681294
• PubChem CID: 23620040

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.2594
• LogD (pH = 7.4): -0.2594
• Log P: -0.2594
• Molar Refractivity: 39.9336 cm^3
• Polarizability: 15.723072 Å^3
• Polar Surface Area: 142.74 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: LJ8140000
• Risk Statements: 52/53
• Safety Statements: 61
• TSCA Listed: 是
• GHS Hazard statements: H402-H412
• GHS Precautionary statements: P273-P501A