iron(3+) ion trihydrate trifluoride

• ChemBase ID: 96788
• Molecular Formular: F3FeO3
• Molecular Mass: 160.8384096
• Monoisotopic Mass: 160.91489102
• SMILES: O.O.O.[Fe+3].[F-].[F-].[F-]
• Canonical SMILES: O.O.O.[F-].[F-].[F-].[Fe+3]
• InChI: InChI=1S/3FH.Fe.3H2O/h3*1H;;3*1H2/q;;;+3;;;/p-3
• InChIKey: XILAUHRDSUSGOG-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: iron(3+) ion trihydrate trifluoride
• IUPAC Traditional name: iron(3+) ion trihydrate trifluoride; ferric iron trihydrate trifluoride
• Synonyms: Iron(III) fluoride trihydrate; Ferric fluoride trihydrate; Iron (III) fluoride trihydrate 98%; 氟化铁(III) 三水合物

Database IDs

• CAS Number: 15469-38-2
• EC Number: 232-002-4
• MDL Number: MFCD00149718
• Merck Index: 144022
• PubChem SID: 162083436
• PubChem CID: 44717421

CALCULATED PROPERTIES

• Acid pKa: 15.7
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.652
• LogD (pH = 7.4): -0.652
• Log P: -0.652
• Molar Refractivity: 3.7 cm^3
• Polarizability: 1.4714895 Å^3
• Polar Surface Area: 25.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline

Safety Information

• Storage Warning: Corrosive; Hygroscopic
• European Hazard Symbols: Corrosive (C); X
• UN Number: UN3260
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 20/21/22-34
• Safety Statements: 9-20-26-36/37/39-45-60
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06
• GHS Hazard statements: H301-H311-H332-H314-H318
• GHS Precautionary statements: P260-P301+P310-P303+P361+P353-P305+P351+P338-P361-P405-P501A