31232

Chlorure de fer(III) hexahydrate

puriss. p.a., reag. Ph. Eur., ≥99%

• Synonyme(s) : Chlorure ferrique hexahydrate
• Formule linéaire : FeCl₃ · 6H₂O
• Numéro CAS: 10025-77-1
• Poids moléculaire : 270.30
• Numéro CE : 231-729-4
• Numéro MDL: MFCD00149712
• Code UNSPSC : 12352302
• ID de substance PubChem : 329753690
• Nomenclature NACRES : NA.21

Propriétés

• Agence: USP/NF; reag. Ph. Eur.
• Niveau de qualité: 200
• Pression de vapeur: 1 mmHg ( 194 °C)
• Qualité: puriss. p.a.
• Pureté: ≥99%
• Forme: solid
• Impuretés: ≤0.001% free chlorine (Cl); ≤0.001% total nitrogen (N); ≤0.05% sub.not precip.b.NH₄OH(SO₄); ≤0.2% free acid (as HCl)
• Point d'ébullition: 280-285 °C (lit.)
• Pf: 37 °C (lit.)
• Traces d'anions: phosphate (PO₄^3-): ≤100 mg/kg; sulfate (SO₄^2-): ≤50 mg/kg
• Traces de cations: As: ≤5 mg/kg; Cu: ≤20 mg/kg; Fe²⁺: ≤50 mg/kg; Pb: ≤20 mg/kg; Zn: ≤20 mg/kg
• Chaîne SMILES: O.O.O.O.O.O.Cl[Fe](Cl)Cl
• InChI: 1S/3ClH.Fe.6H2O/h3*1H;;6*1H2/q;;;+3;;;;;;/p-3
• Clé InChI: NQXWGWZJXJUMQB-UHFFFAOYSA-K

Description

Description générale

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.

Informations sur la sécurité

• Pictogrammes: GHS05,GHS07
• Mention d'avertissement: Danger
• Mentions de danger: H302,H315,H318
• Conseils de prudence: P264 - P280 - P301 + P312 - P302 + P352 - P305 + P351 + P338 - P332 + P313
• Classification des risques: Acute Tox. 4 Oral - Eye Dam. 1 - Skin Irrit. 2
• Code de la classe de stockage: 13 - Non Combustible Solids
• Classe de danger pour l'eau (WGK): WGK 1
• Point d'éclair (°F): Not applicable
• Point d'éclair (°C): Not applicable