31232-M

Iron(III) chloride hexahydrate

puriss. p.a., reag. Ph. Eur., ≥99%

• 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: 329753690
• NACRES: NA.21

Properties

• agency: USP/NF; reag. Ph. Eur.
• Quality Level: 100
• vapor pressure: 1 mmHg ( 194 °C)
• grade: puriss. p.a.
• assay: ≥99%
• form: solid
• impurities: ≤0.001% free chlorine (Cl); ≤0.001% total nitrogen (N); ≤0.05% sub.not precip.b.NH₄OH(SO₄); ≤0.2% free acid (as HCl)
• bp: 280-285 °C (lit.)
• mp: 37 °C (lit.)
• anion traces: phosphate (PO₄^3-): ≤0.002%; sulfate (SO₄^2-): ≤0.005%
• cation traces: As: ≤0.0005%; Cu: ≤0.002%; Fe²⁺: ≤0.005%; Pb: ≤0.002%; Zn: ≤0.002%
• 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. Its crystal structure has been studied using three-dimensional single-crystal X-ray-diffraction data. Its crystals have two chloride ions and four water molecules arranged around each ferric ion to form octahedral trans-[FeCl₂(OH₂)₄]⁺ ions having C_2h-2/m symmetry.

Application

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

• Synthesis of 2-substituted 4(3H)-quinazolinones (yield = 77-93%), via condensation of aldehydes with anthranilamide.
• 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: 13 - Non Combustible Solids
• wgk_germany: WGK 1
• flash_point_f: Not applicable
• flash_point_c: Not applicable