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31232-M

Sigma-Aldrich

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:
Molecular Weight:
270.30
EC Number:
MDL number:
UNSPSC Code:
12352302
PubChem Substance ID:
NACRES:
NA.21

Agency

USP/NF
reag. Ph. Eur.

Quality Level

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 (PO43-): ≤0.002%
sulfate (SO42-): ≤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

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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

Signal Word

Danger

Hazard Statements

Hazard Classifications

Acute Tox. 4 Oral - Eye Dam. 1 - Skin Irrit. 2

WGK

WGK 1

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Regulatory Information

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