trichloroiron hexahydrate

• ChemBase ID: 103902
• Molecular Formular: Cl3FeH12O6
• Molecular Mass: 270.29568
• Monoisotopic Mass: 268.90488364
• SMILES: O.O.O.O.O.O.Cl[Fe](Cl)Cl
• Canonical SMILES: Cl[Fe](Cl)Cl.O.O.O.O.O.O
• 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: trichloroiron hexahydrate
• IUPAC Traditional name: ferric chloride hexahydrate
• Synonyms: Ferric chloride hexahydrate; Iron(III) chloride hexahydrate; Chlorure Perrique; Iron (III) Chloride Hexahydrate; Iron Trichloride; Perchlorure de Fer; FERRIC CHLORIDE; 氯化铁 六水合物; 氯化铁(III) 六水合物

Database IDs

• CAS Number: 10025-77-1
• EC Number: 231-096-4; 231-729-4
• MDL Number: MFCD00149712
• PubChem SID: 162091357; 24894832; 24854173; 24868480; 24858866
• PubChem CID: 16211236

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.3035
• LogD (pH = 7.4): 2.3035
• Log P: 2.3035
• Molar Refractivity: 18.4089 cm^3
• Polarizability: 10.17752 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: purified lumps
• Melting Point: 37 °C; 37 °C(lit.)
• Boiling Point: 280-285 °C; 280-285 °C(lit.)
• Density: 1.82 g/cm^3 at 25 °C
• Vapor Pressure: 1 mmHg ( 194 °C)

Safety Information

• Storage Condition: Room Temperature (15-30°C), Desiccate
• RTECS: NO5425000
• European Hazard Symbols: Corrosive (C); Harmful (Xn)
• UN Number: 1759; 3260
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 3; III
• Australian Hazchem: 2X
• Risk Statements: 22-36-41; R:34
• Safety Statements: 26-36; S:26-27/28-36/37/39-46-64
• EU Classification: C10
• EU Hazard Identification Number: 8B
• Emergency Response Guidebook(ERG) Number: 154
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H290-H302-H315-H318
• GHS Precautionary statements: P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 3260 8/PG 3

Product Information

• Purity: ≥94% (RT); ≥98%; ≥98.0%; ≥99%; ≥99.0%; 97%; 97.0-102.0%; 97.0-102.0% (ACS specification); 98%; 98.0-102% (RT)
• Grade: ACS reagent; JIS special grade; puriss. p.a.; reagent grade; SAJ first grade; technical
• Impurities: ≤0.001% free chlorine (Cl); ≤0.001% total nitrogen (N); ≤0.002% free chlorine (Cl); ≤0.01% Insoluble matter; ≤0.01% insolubles; ≤0.01% P compounds (as PO4); ≤0.01% phosphorous compounds (as PO4); ≤0.01% Phosphorus compounds (as PO4); ≤0.05% sub.not precip.b.NH4OH(SO4); ≤0.1% Substances not pptd. by NH4OH (as sulfates); ≤0.1% Substances not precipitated by ammonium hydroxide (as sulfates); ≤0.2% free acid (as HCl)
• Cation Traces: As: ≤5 mg/kg; Ca: ≤50 mg/kg; Cd: ≤10 mg/kg; Co: ≤50 mg/kg; Cr: ≤100 mg/kg; Cu: ≤0.003%; Cu: ≤20 mg/kg; Fe2+: ≤20 mg/kg; Fe2+: ≤50 mg/kg; Fe2+:, passes test (lim. ~0.002%); Fe2+:, passes test (limit ～0.002%); K: ≤50 mg/kg; Mg: ≤10 mg/kg; Mn: ≤1000 mg/kg; Na: ≤100 mg/kg; Ni: ≤50 mg/kg; Pb: ≤20 mg/kg; Zn: ≤0.003%; Zn: ≤20 mg/kg
• Antion Traces: nitrate (NO3-): ≤0.01%; nitrate (NO3-): ≤100 mg/kg; phosphate (PO43-): ≤20 mg/kg; sulfate (SO42-): ≤0.01%; sulfate (SO42-): ≤50 mg/kg
• Quality: crystallized
• Linear Formula: FeCl3 · 6H2O

DETAILS

MP Biomedicals - 02153500

Hexahydrate Crystalline

Sigma Aldrich - 207926

Application
A variety of organically templated iron phosphates, of interest because of their rich crystal chemistry and their ability to absorb large molecules in their micropores,were prepared using this compound.1

Sigma Aldrich - 236489

Packaging
100, 500, 6×500 g in poly bottle
5 g in glass bottle
Application
A variety of organically templated iron phosphates, of interest because of their rich crystal chemistry and their ability to absorb large molecules in their micropores, were prepared using this compound.1

Sigma Aldrich - F2877

Packaging
1 kg in poly bottle
100, 250, 500 g in poly bottle