iron(3+) ion trinitrate

• ChemBase ID: 158797
• Molecular Formular: FeN3O9
• Molecular Mass: 241.8597
• Monoisotopic Mass: 241.8983911
• SMILES: [N+](=O)([O-])[O-].[Fe+3].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]
• Canonical SMILES: [O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[Fe+3]
• InChI: InChI=1S/Fe.3NO3/c;3*2-1(3)4/q+3;3*-1
• InChIKey: VCJMYUPGQJHHFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: iron(3+) ion trinitrate
• IUPAC Traditional name: iron(3+) ion trinitrate
• Synonyms: Iron(III) nitrate solution; Iron standard solution; Iron standard solution

Database IDs

• CAS Number: 10421-48-4
• EC Number: 231-791-2
• MDL Number: MFCD00010999
• PubChem SID: 162252932
• PubChem CID: 25251

CALCULATED PROPERTIES

• Acid pKa: -1.3999903
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.3479722
• LogD (pH = 7.4): -2.3479848
• Log P: 0.028413763
• Molar Refractivity: 9.8534 cm^3
• Polarizability: 3.4222581 Å^3
• Polar Surface Area: 68.88 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 2
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Concentration: 1 mg/mL Fe; 1000 ppm Fe
• Suitability: suitable for atomic absorption spectrometry