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Iron(III) chloride hexahydrate

Name: Iron(III) chloride hexahydrate
Brand: SIGALD

puriss. p.a., reag. Ph. Eur., ≥99%

Synonym(s):

Ferric chloride hexahydrate

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About This Item

Linear Formula:

FeCl₃ · 6H₂O

CAS Number:

10025-77-1

Molecular Weight:

270.30

NACRES:

NA.21

PubChem Substance ID:

329753690

UNSPSC Code:

12352302

EC Number:

231-729-4

MDL number:

MFCD00149712

Assay:

≥99%

Form:

solid

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Properties

Quality Level

200

agency

USP/NF, reag. Ph. Eur.

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-): ≤100 mg/kg, sulfate (SO₄^2-): ≤50 mg/kg

cation traces

As: ≤5 mg/kg, Cu: ≤20 mg/kg, Fe²⁺: ≤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. 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.

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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

WGK 1

flash_point_f

Not applicable

flash_point_c

Not applicable

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Benign and efficient synthesis of 2-substituted 4(3H)-quinazolinones mediated by iron (III) chloride hexahydrate in refluxing water.

Wang G-W, et al.

Bulletin of the Chemical Society of Japan, 79(9), 1426-1430 (2006)

Removal of Diclofenac, Paracetamol, and Carbamazepine from Model Aqueous Solutions by Magnetic Sol-Gel Encapsulated Horseradish Peroxidase and Lignin Peroxidase Composites.

Ievgen V Pylypchuk et al.

Nanomaterials (Basel, Switzerland), 10(2) (2020-02-13)

Sustainable and green synthesis of nanocomposites for degradation of pharmaceuticals was developed via immobilization and stabilization of the biological strong oxidizing agents, peroxidase enzymes, on a solid support. Sol-gel encapsulated enzyme composites were characterized using electron microscopy (TEM, SEM), atomic

Ferric chloride hexahydrate: a convenient reagent for the oxidation of hantzsch 1, 4-dihydropyridines.

Lu J, et al.

Synthetic Communications, 31(17), 2625-2630 (2001)

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