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Aluminium chloride hexahydrate

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Name Aluminium chloride hexahydrate EINECS 231-208-1
CAS No. 7784-13-6 Density 2.398 g/cm3
Solubility water: 477 g/L (20 °C) Melting Point 100°C (dec.)
Formula AlCl3.6(H2O)  Boiling Point
Molecular Weight 241.45 Flash Point
Transport Information UN 3260 8/PG 3 Appearance white to pale yellow crystalline solid
Safety 26-36/37/39-45 Risk Codes 36/37/38-34-36/38
Molecular Structure Molecular Structure of 7784-13-6 (Aluminium chloride hexahydrate) Hazard Symbols IrritantXi,CorrosiveC
Synonyms

Aluminumchloride (AlCl3), hexahydrate (9CI);Aluminum chloride, hexahydrate (8CI);Aluminum trichloride hexahydrate;Aluminum(III) chloride hexahydrate;Aluminum chloride(AlCl3), hydrate (1:6);

 

Chemistry

Molecular Structure of Aluminum chloride hexahydrate (CAS No.7784-13-6):

Molecular Formula: AlCl3.6(H2O) 
Molecular Weight: 241.43
IUPAC Name: Trichloroalumane hexahydrate 
CAS No: 7784-13-6
EINECS: 231-208-1
H-Bond Donor: 6
H-Bond Acceptor: 6
Rotatable Bond Count: 0
Density: 2.398 g/cm3
Melting Point: 100°C (dec.)
Enthalpy of Vaporization: 40.65 kJ/mol
Boiling Point: 100 °C at 760 mmHg
Vapour Pressure: 24.5 mmHg at 25°C
Water Solubility: 477 g/L (20 ºC)
Sensitive: Moisture Sensitive
Classification Code: Astringent [topical];Mutation data;Reproductive Effect;Skin / Eye Irritant
Stability: Stable, but may decompose upon exposure to moist air or water. Incompatible with acids.Note that decomposition of the anhydrous product, possibly caused by moisture leaking into the container or being trapped within it, may cause a pressure rise in a sealed container, potentially leading to explosive rupture.
Canonical SMILES: O.O.O.O.O.O.[Al](Cl)(Cl)Cl
InChI: InChI=1S/Al.3ClH.6H2O/h;3*1H;6*1H2/q+3;;;;;;;;;/p-3
InChIKey: JGDITNMASUZKPW-UHFFFAOYSA-K

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 940mg/kg (940mg/kg)   Pharmacology and Toxicology Vol. 60, Pg. 280, 1987.
mouse LD50 oral 1990mg/kg (1990mg/kg)   Pharmacology and Toxicology Vol. 60, Pg. 280, 1987.
rat LD50 intraperitoneal 728mg/kg (728mg/kg)   Pharmacology and Toxicology Vol. 60, Pg. 280, 1987.
rat LD50 oral 3311mg/kg (3311mg/kg)   Pharmacology and Toxicology Vol. 60, Pg. 280, 1987.

Safety Profile

Safety Information of Aluminum chloride hexahydrate (CAS No.7784-13-6):
Hazard Symbols: IrritantXi,CorrosiveC
Risk Codes: 36/37/38-34-36/38 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R34:Causes burns. 
R36/38:Irritating to eyes and skin.
Safety Description: 26-36/37/39-45 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
Transport Information: UN 3260 8/PG 3
WGK Germany: 1
RTECS: BD0530000
HazardClass: 8
PackingGroup: III
HS Code: 28273200

Standards and Recommendations

ACGIH TLV: TWA 2 mg(Al)/m3

Specification

   Aluminum chloride hexahydrate (CAS No.7784-13-6), it also can be called Aluminum trichloride hexahydrate ; Aluminum(III) chloride, hexahydrate . It is white to pale yellow crystalline solid.

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