iron(3+) ion dihydrate phosphate

• ChemBase ID: 145730
• Molecular Formular: FeH4O6P
• Molecular Mass: 186.846921
• Monoisotopic Mass: 186.90948698
• SMILES: O.O.[O-]P(=O)([O-])[O-].[Fe+3]
• Canonical SMILES: [O-]P(=O)([O-])[O-].O.O.[Fe+3]
• InChI: InChI=1S/Fe.H3O4P.2H2O/c;1-5(2,3)4;;/h;(H3,1,2,3,4);2*1H2/q+3;;;/p-3
• InChIKey: BMTOKWDUYJKSCN-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: iron(3+) ion dihydrate phosphate
• IUPAC Traditional name: iron(3+) ion dihydrate phosphate
• Synonyms: Ferric phosphate dihydrate; Iron(III) phosphate dihydrate; 磷酸铁(III) 二水合物

Database IDs

• CAS Number: 13463-10-0
• MDL Number: MFCD00221523
• PubChem SID: 24867271; 162239933
• PubChem CID: 25087130

CALCULATED PROPERTIES

• Acid pKa: 1.7961261
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.3916447
• LogD (pH = 7.4): -3.9718332
• Log P: -1.0201038
• Molar Refractivity: 11.2868 cm^3
• Polarizability: 5.564544 Å^3
• Polar Surface Area: 86.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

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

• Compostion: Fe, 29%
• Linear Formula: FePO4 · 2H2O

DETAILS

Sigma Aldrich - 436011

Application
Used as molluscicides in the practice of organic farming.
Packaging
1 kg in glass bottle
250 g in glass bottle