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Merck

44944

Iron(III) chloride hexahydrate

puriss. p.a., ACS reagent, crystallized, 98.0-102% (RT)

Synonym(s):

Ferric chloride hexahydrate

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About This Item

Linear Formula:
FeCl3 · 6H2O
CAS Number:
Molecular Weight:
270.30
NACRES:
NB.24
PubChem Substance ID:
UNSPSC Code:
12352302
EC Number:
231-729-4
MDL number:
Assay:
98.0-102% (RT)
Form:
crystals or chunks
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Quality Segment

vapor pressure

1 mmHg ( 194 °C)

grade

ACS reagent, puriss. p.a.

assay

98.0-102% (RT)

form

crystals or chunks

quality

crystallized

impurities

≤0.001% total nitrogen (N), ≤0.002% free chlorine (Cl), ≤0.01% phosphorous compounds (as PO4)

bp

280-285 °C (lit.)

mp

37 °C (lit.)

anion traces

nitrate (NO3-): ≤100 mg/kg, sulfate (SO42-): ≤50 mg/kg

cation traces

As: ≤5 mg/kg, Ca: ≤50 mg/kg, Cd: ≤10 mg/kg, Co: ≤50 mg/kg, Cr: ≤100 mg/kg, Cu: ≤20 mg/kg, Fe2+: ≤20 mg/kg, K: ≤50 mg/kg, Mg: ≤10 mg/kg, Mn: ≤1000 mg/kg, Na: ≤100 mg/kg, Ni: ≤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

General description

Iron(III) chloride hexahydrate can be obtained from crystallization of iron(III) chloride from water. Three-dimensional single-crystal X-ray-diffraction studies of its crystal structure suggest its crystals are monoclinic and C2h3-2/m space group.

Application

Iron(III) chloride hexahydrate (FeCl3.6H2O) may be employed as an oxidant for the following conversions:
  • Synthesis of 2-substituted 4(3H)-quinazolinones (yield = 77-93%).
  • 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

CorrosionExclamation mark

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

44944-1KG:4.548173985268E12 + 44944-250G:4.548173985275E12 + 44944-50G:4.548173985282E12

jan



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