44944

Iron(III) chloride hexahydrate

puriss. p.a., ACS reagent, crystallized, 98.0-102% (RT)

• Synonym(s): Ferric chloride hexahydrate
• Linear Formula: FeCl₃ · 6H₂O
• CAS Number: 10025-77-1
• Molecular Weight: 270.30
• EC Number: 231-729-4
• MDL number: MFCD00149712
• UNSPSC Code: 12352302
• PubChem Substance ID: 329756570
• NACRES: NB.24
• assay: 98.0-102% (RT)
• form: crystals or chunks

Properties

• grade: ACS reagent; puriss. p.a.
• Quality Level: 200
• vapor pressure: 1 mmHg ( 194 °C)
• assay: 98.0-102% (RT)
• form: crystals or chunks
• quality: crystallized
• impurities: ≤0.001% total nitrogen (N); ≤0.002% free chlorine (Cl); ≤0.01% phosphorous compounds (as PO₄)
• bp: 280-285 °C (lit.)
• mp: 37 °C (lit.)
• anion traces: nitrate (NO₃^-): ≤100 mg/kg; sulfate (SO₄^2-): ≤50 mg/kg
• cation traces: As: ≤5 mg/kg; Ca: ≤50 mg/kg; Cd: ≤10 mg/kg; Co: ≤50 mg/kg; Cr: ≤100 mg/kg; Cu: ≤20 mg/kg; Fe²⁺: ≤20 mg/kg; 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: ≤20 mg/kg
• SMILES string: O.O.O.O.O.O.Cl[Fe](Cl)Cl
• InChI: 1S/3ClH.Fe.6H2O/h3*1H;;6*1H2/q;;;+3;;;;;;/p-3
• Inchi Key: NQXWGWZJXJUMQB-UHFFFAOYSA-K

Description

General description

Iron(III) chloride hexahydrate can be obtained from crystallization of iron(III) chloride from water. Three-dimensional single-crystal X-ray-diffraction studies of its crystal structure suggest its crystals are monoclinic and C_2h³-2/m space group.

Application

Iron(III) chloride hexahydrate (FeCl₃.6H₂O) may be employed as an oxidant for the following conversions:

• Synthesis of 2-substituted 4(3H)-quinazolinones (yield = 77-93%).
• Oxidation of 1,4-dihydropyridines (1,4-DHPs) to corresponding pyridines.
• Oxidation of 4-isopropyl-1,4-DHP to dealkylated pyridine.

Safety Information

• pictograms: GHS05,GHS07
• signalword: Danger
• hcodes: H302,H315,H318
• pcodes: P264 - P280 - P301 + P312 - P302 + P352 - P305 + P351 + P338 - P332 + P313
• Hazard Classifications: Acute Tox. 4 Oral - Eye Dam. 1 - Skin Irrit. 2
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 1
• flash_point_f: Not applicable
• flash_point_c: Not applicable