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

Safety Information of Aluminum chloride hexahydrate (CAS No.7784-13-6):
Hazard Symbols: Xi,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

ACGIH TLV: TWA 2 mg(Al)/m³

   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.