λ2-iron(2+) ion hydrate sulfate

• ChemBase ID: 140124
• Molecular Formular: FeH2O5S
• Molecular Mass: 169.92288
• Monoisotopic Mass: 169.89723166
• SMILES: O.[O-]S(=O)(=O)[O-].[Fe+2]
• Canonical SMILES: [O-]S(=O)(=O)[O-].O.[Fe+2]
• InChI: InChI=1S/Fe.H2O4S.H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);1H2/q+2;;/p-2
• InChIKey: XBDUTCVQJHJTQZ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^2-iron(2+) ion hydrate sulfate
• IUPAC Traditional name: λ^2-iron(2+) ion hydrate sulfate
• Synonyms: Green vitriol; Iron vitriol; Sulfuric acid, iron(II) salt (1:1), hydrate; Iron(II) sulfate hydrate; 硫酸铁(II) 水合物

Database IDs

• CAS Number: 13463-43-9
• EC Number: 231-753-5
• MDL Number: MFCD00149722
• PubChem SID: 162234368; 24868235; 24847572
• PubChem CID: 62712

CALCULATED PROPERTIES

• Acid pKa: -3.034349
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -5.569452
• LogD (pH = 7.4): -5.594027
• Log P: -0.841552
• Molar Refractivity: 11.5274 cm^3
• Polarizability: 6.037845 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: solid
• Density: 1.9 g/mL at 25 °C(lit.)
• pH: 3.0-4.0 (20 °C, 5%)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 1
• Risk Statements: 22
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: 86.0-89.0% FeSO4 basis; 99.999% trace metals basis
• Grade: puriss.
• Impurities: ≤0.005% heavy metals (as Pb); ≤0.05% insoluble matter; residual solvents, complies
• Cation Traces: As: ≤2 mg/kg; Ca: ≤200 mg/kg; Cr: ≤100 mg/kg; Cu: ≤20 mg/kg; Fe3+: ≤4000 mg/kg; Hg: ≤1 mg/kg; K: ≤100 mg/kg; Mg: ≤100 mg/kg; Mn: ≤1000 mg/kg; Na: ≤200 mg/kg; Ni: ≤100 mg/kg; Pb: ≤2 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤300 mg/kg
• Shelf Life: (Shelf life is limited)
• Quality: exsiccated; meets analytical specification of Ph. Eur., BP
• Linear Formula: FeSO4 · aq; FeSO4 · xH2O

DETAILS

Sigma Aldrich - 450278

Packaging
5, 25 g in glass bottle

Sigma Aldrich - 12353

Caution
tends to oxidation by air
Packaging
bottled under inert gas