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Basic Information

Molecular Structure:
CAS No.:	7784-13-6
Name:	Aluminum chloride hexahydrate
Article Data:	5
Cas Database

Formula:	AlCl₃.6(H₂O)
Molecular Weight:	133.341
Synonyms:	Aluminumchloride (AlCl3), hexahydrate (9CI);Aluminum chloride, hexahydrate (8CI);Aluminum trichloride hexahydrate;Aluminum(III) chloride hexahydrate;Aluminum chloride(AlCl3), hydrate (1:6);
EINECS:	231-208-1
Density:	2.398 g/cm³
Melting Point:	100°C (dec.)
Solubility:	water: 477 g/L (20 °C)
Appearance:	white to pale yellow crystalline solid
Hazard Symbols:	Xi,C
Risk Codes:	36/37/38-34-36/38
Safety:	26-36/37/39-45
Transport Information:	UN 3260 8/PG 3
PSA:	55.38000
LogP:	1.68270

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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)	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: Irritant Xi, Corrosive C
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.