hexahydroxyirontris(ylium) trichloride

• ChemBase ID: 105777
• Molecular Formular: Cl3FeH6O6
• Molecular Mass: 264.24804
• Monoisotopic Mass: 262.85793345
• SMILES: [Cl-].[Cl-].[Cl-].O[Fe+3](O)(O)(O)(O)O
• Canonical SMILES: O[Fe+3](O)(O)(O)(O)O.[Cl-].[Cl-].[Cl-]
• InChI: InChI=1S/3ClH.Fe.6H2O/h3*1H;;6*1H2/q;;;+9;;;;;;/p-9
• InChIKey: DVAPDCKKXVTJLW-UHFFFAOYSA-E

NAMES AND DATABASE IDS

Names

• IUPAC name: hexahydroxyirontris(ylium) trichloride
• IUPAC Traditional name: hexahydroxyirontris(ylium) trichloride
• Synonyms: Chlorure Perrique; Iron Chloride; Iron Trichloride; Perchlorure de Fer; FERRIC CHLORIDE HEXAHYDRATE ACS REAGENT GRADE

Database IDs

• CAS Number: 10025-77-1
• EC Number: 231-096-4
• PubChem SID: 162092610
• PubChem CID: 24810

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 6
• LogD (pH = 5.5): -2.8172224
• LogD (pH = 7.4): -2.8172002
• Log P: -2.8172
• Molar Refractivity: 15.3876 cm^3
• Polarizability: 9.770343 Å^3
• Polar Surface Area: 121.38 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 37 °C
• Boiling Point: 280-285 °C
• Density: 1.82 g/cm^3 at 25 °C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: NO5425000
• European Hazard Symbols: Corrosive (C)
• UN Number: 1759
• Hazard Class: 8
• Packing Group: III
• Australian Hazchem: 2X
• Risk Statements: R:34
• Safety Statements: S:26-27/28-36/37/39-46-64
• EU Classification: C10
• EU Hazard Identification Number: 8B
• Emergency Response Guidebook(ERG) Number: 154

Product Information

• Purity: >97%
• Grade: ACS; REAGENT

DETAILS

MP Biomedicals - 02194045

Hexahydrate
ACS Reagent Grade
Purity: >97%