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237078

Sigma-Aldrich

Aluminum chloride hexahydrate

ReagentPlus®, 99%

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About This Item

Empirical Formula (Hill Notation):
AlCl3 · 6H2O
CAS Number:
7784-13-6
Molecular Weight:
241.43
EC Number:
231-208-1
MDL number:
MFCD00149134
UNSPSC Code:
12352302
PubChem Substance ID:
329752442
NACRES:
NA.55

vapor pressure

1 mmHg ( 100 °C)

Quality Level

200

product line

ReagentPlus®

assay

99%

form

crystalline solid
crystals or chunks

reaction suitability

reagent type: catalyst
core: aluminum

pH

2.5-3.5 (20 °C)

SMILES string

Cl[Al](Cl)Cl.O.O.O.O.O.O

InChI

1S/Al.3ClH.6H2O/h;3*1H;6*1H2/q+3;;;;;;;;;/p-3

InChI key

JGDITNMASUZKPW-UHFFFAOYSA-K

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General description

Aluminum chloride hexahydrate is a nonflammable compound widely employed as a catalyst in organic synthesis. In addition to being extremely soluble in water, it is also soluble in alcohol, ether, glycerol, propylene glycol, and acetonitrile. It has many uses, including the refinement of crude oil, the production of deodorants and antiperspirant products, the dyeing of fabrics, textile finishing.

Application

Aluminum chloride hexahydrate is used as a catalyst:
  • In the synthesis of corresponding THP (tetrahydropyranylation) ether from alcohol or phenol, and 3,4-dihydro-2H-pyran (DHP).
  • In the direct esterification of levulinic acid and ethanol to produce ethyl levulinate.
  • In the synthesis of gem-dihydroperoxides from ketones and aldehydes.

Legal Information

ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany

pictograms

Health hazardCorrosion
GHS08,GHS05

signalword

Danger

hcodes

H314,H372

Hazard Classifications

Eye Dam. 1 - Skin Corr. 1B - STOT RE 1

target_organs

Lungs

supp_hazards

EUH071

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk_germany

WGK 1

flash_point_f

Not applicable

flash_point_c

Not applicable

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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[Axillary hyperhydrosis. Local treatment with 25% aluminum chloride hexahydrate in absolute alcohol].
F Brandrup et al.
Ugeskrift for laeger, 140(35), 2106-2109 (1978-08-28)
Aluminium (III) chloride hexahydrate: an efficient and versatile reagent in organic synthesis.
Sarma SD, et al.
ARKIVOC (Gainesville, FL, United States), 1, 243-263 (2013)
Ingrid Siemund et al.
Contact dermatitis, 77(5), 288-296 (2017-07-12)
Contact allergy to aluminium has been reported more frequently in recent years. It has been pointed out that positive patch test reactions to aluminium may not be reproducible on retesting. To investigate possible variations in patch test reactivity to aluminium
Mark Baranov et al.
Inorganic chemistry, 58(13), 8877-8883 (2019-06-30)
While sophisticated computational methods can predict 31P NMR spectra of phosphorus atoms encapsulated within Keggin-derived heteropoly tungstate and molybdate cluster anions, calculated and experimental chemical shift values typically deviate considerably from one another. Motivated by the observation that experimentally determined
Solvent-free tetrahydropyranylation (THP) of alcohols and phenols and their regeneration by catalytic aluminum chloride hexahydrate.
Namboodiri VV and Varma RS.
Tetrahedron Letters, 43(7), 1143-1146 (2002)
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