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Merck

31232

Iron(III) chloride hexahydrate

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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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.)

anion traces

phosphate (PO43-): ≤100 mg/kg, sulfate (SO42-): ≤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

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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 C2h-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.

pictograms

CorrosionExclamation mark
GHS05,GHS07

signalword

Danger

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

Substances Subject to be Indicated Names

ishl_indicated

Substances Subject to be Notified Names

ishl_notified

31232-1.5KG: + 31232-100G: + 31232-500G: + 31232-VAR: + 31232-1KG:4548173957937 + 31232-6X250G: + 31232-6X1KG: + 31232-6X500G: + 31232-6X100G: + 31232-25KG: + 31232-BULK: + 31232-250G:4548173957944

jan

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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)
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)
Chenglong Yuan et al.
International journal of molecular sciences, 20(3) (2019-02-13)
The prion protein (PrPSc) has drawn widespread attention due to its pathological potential to cause prion diseases. Herein, we successfully synthesized Fe₃C@C by carbonizing Fe₃O₄-lignin clusters, which were prepared through a facile hydrogen bonding interaction between ≡Fe-OH and hydroxyl groups
Crystal structure of ferric chloride hexahydrate.
Lind MD.
J. Chem. Phys., 47(3), 990-993 (1967)
Sanjay Kashyap et al.
ACS nano, 8(9), 9097-9106 (2014-08-28)
Biomineralization proteins are widely used as templating agents in biomimetic synthesis of a variety of organic-inorganic nanostructures. However, the role of the protein in controlling the nucleation and growth of biomimetic particles is not well understood, because the mechanism of
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