iron(3+) ion hexahydrate trichloride

• ChemBase ID: 302892
• Molecular Formular: Cl3FeO6
• Molecular Mass: 258.2004
• Monoisotopic Mass: 256.81098326
• SMILES: O.O.O.O.O.O.[Cl-].[Cl-].[Cl-].[Fe+3]
• Canonical SMILES: O.O.O.O.O.O.[Cl-].[Cl-].[Cl-].[Fe+3]
• InChI: InChI=1S/3ClH.Fe.6H2O/h3*1H;;6*1H2/q;;;+3;;;;;;/p-3
• InChIKey: NQXWGWZJXJUMQB-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: iron(3+) ion hexahydrate trichloride
• IUPAC Traditional name: iron(3+) ion hexahydrate trichloride
• Synonyms: Ferric chloride hexahydrate; Iron(III) chloride hexahydrate, ACS; 三氯化铁(III) 六水合物, ACS

Database IDs

• CAS Number: 10025-77-1
• EC Number: 231-729-4
• MDL Number: MFCD00149712
• Merck Index: 144019

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

• Solubility: Freely soluble in water, alcohol, ether, acetone.
• Apperance: Lump
• Melting Point: 37°C
• Boiling Point: 280-285°C
• Density: 1.820

Safety Information

• Storage Warning: Hygroscopic
• RTECS: NO5425000
• European Hazard Symbols: Corrosive (C); X
• UN Number: UN3260
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 22-34
• Safety Statements: 20-26-36/37/39-45-60
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Hazard statements: H314-H318-H302
• GHS Precautionary statements: P280-P305+P351+P338-P309-P310

Product Information

• Purity: 97.0-102.0%