Record Information
Version1.0
Creation Date2009-06-19 21:58:52 UTC
Update Date2026-05-14 19:06:51 UTC
Accession NumberCHEM001269
Identification
Common NameAluminium chloride
ClassSmall Molecule
DescriptionAluminium chloride is a chloride of aluminum. It is probably the most commonly used Lewis acid and also one of the most powerful. It finds widespread application in the chemical industry as the classic catalyst for Friedel-Crafts reactions, both acylations and alkylations. It also finds use in polymerization and isomerization reactions of hydrocarbons. Aluminium chloride, often in the form of derivatives such as aluminium chlorohydrate, is a common component in antiperspirants at low concentrations. Aluminum is the most abundant metal in the earth's crust and is always found combined with other elements such as oxygen, silicon, and fluorine. (7, 8, 9)
Contaminant Sources
  • HPV EPA Chemicals
  • T3DB toxins
Contaminant Type
  • Aluminum Compound
  • Household Toxin
  • Industrial/Workplace Toxin
  • Inorganic Compound
  • Synthetic Compound
Chemical Structure
Thumb
Synonyms
ValueSource
[AlCl3]ChEBI
AlCl3ChEBI
Aluminum chloride anhydrousChEBI
Aluminum trichlorideChEBI
Aluminum chloride hexahydrateMeSH
Aluminum chloride, anhydrousMeSH
DrysolMeSH
Anhydrous aluminum chlorideMeSH
Aluminum chlorideMeSH
Chemical FormulaAlCl3
Average Molecular Mass133.341 g/mol
Monoisotopic Mass131.888 g/mol
CAS Registry Number7446-70-0
IUPAC Nametrichloroalumane
Traditional Namealuminium chloride
SMILESCl[Al](Cl)Cl
InChI IdentifierInChI=1S/Al.3ClH/h;3*1H/q+3;;;/p-3
InChI KeyVSCWAEJMTAWNJL-UHFFFAOYSA-K
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as post-transition metal chlorides. These are inorganic compounds in which the largest halogen atom is Chlorine, and the heaviest metal atom is a post-transition metal.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassPost-transition metal salts
Sub ClassPost-transition metal chlorides
Direct ParentPost-transition metal chlorides
Alternative Parents
Substituents
  • Post-transition metal chloride
  • Inorganic chloride salt
  • Inorganic salt
Molecular FrameworkNot Available
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Cytoplasm
  • Extracellular
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateSolid
AppearanceWhite or pale yellow solid.
Experimental Properties
PropertyValue
Melting Point192.4°C *anhydrous) 0°C (hexahydrate)
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
logP1.65ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity18.41 m³·mol⁻¹ChemAxon
Polarizability9.49 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-000i-0900000000-47ee5a464ae9d5349b3cSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-000i-0900000000-47ee5a464ae9d5349b3cSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-000i-0900000000-47ee5a464ae9d5349b3cSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-0900000000-4a7f22fa4180fdf87ef3Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-001i-0900000000-4a7f22fa4180fdf87ef3Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-001i-0900000000-4a7f22fa4180fdf87ef3Spectrum
Toxicity Profile
Route of ExposureOral (7) ; inhalation (7)
Mechanism of ToxicityThe main target organs of aluminum are the central nervous system and bone. Aluminum binds with dietary phosphorus and impairs gastrointestinal absorption of phosphorus. The decreased phosphate body burden results in osteomalacia (softening of the bones due to defective bone mineralization) and rickets. Aluminum's neurotoxicity is believed to involve several mechanisms. Changes in cytoskeletal protein functions as a results of altered phosphorylation, proteolysis, transport, and synthesis are believed to be one cause. Aluminum may induce neurobehavioral effects by affecting permeability of the blood-brain barrier, cholinergic activity, signal transduction pathways, lipid peroxidation, and impair neuronal glutamate nitric oxide-cyclic GMP pathway, as well as interfere with metabolism of essential trace elements because of similar coordination chemistries and consequent competitive interactions. It has been suggested that aluminum's interaction with estrogen receptors increases the expression of estrogen-related genes and thereby contributes to the progression of breast cancer (1), but studies have not been able to establish a clear link between aluminum and increased risk of breast cancer (4). Certain aluminum salts induce immune responses by activating inflammasomes. (7, 1, 2)
MetabolismAluminum is poorly absorbed following either oral or inhalation exposure and is essentially not absorbed dermally. The bioavailability of aluminum is strongly influenced by the aluminum compound and the presence of dietary constituents which can complex with aluminum and enhance or inhibit its absorption. Aluminum binds to various ligands in the blood and distributes to every organ, with highest concentrations found in bone and lung tissues. In living organisms, aluminum is believed to exist in four different forms: as free ions, as low-molecular-weight complexes, as physically bound macromolecular complexes, and as covalently bound macromolecular complexes. Absorbed aluminum is excreted principally in the urine and, to a lesser extent, in the bile, while unabsorbed aluminum is excreted in the faeces. (7)
Toxicity ValuesLD50: 222 mg/kg (Oral, Mouse) (7) LD50: 105 mg/kg (Intraperitoneal, Mouse) (3)
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not listed by IARC. IARC classified aluminum production as carcinogenic to humans (Group 1), but did not implicate aluminum itself as a human carcinogen. (6) A link between use of aluminum-containing antiperspirants and increased risk of breast cancer has been proposed (1), but studies have not been able to establish a clear link (4).
Uses/SourcesAluminium chloride is probably the most commonly used Lewis acid and also one of the most powerful. It finds widespread application in the chemical industry as the classic catalyst for Friedel-Crafts reactions, both acylations and alkylations. It also finds use in polymerization and isomerization reactions of hydrocarbons. Aluminium chloride, often in the form of derivatives such as aluminium chlorohydrate, is a common component in antiperspirants at low concentrations. (9)
Minimum Risk LevelIntermediate Oral: 1.0 mg/kg/day (5) Chronic Oral: 1.0 mg/kg/day (5)
Health EffectsAluminum targets the nervous system and causes decreased nervous system performance and is associated with altered function of the blood-brain barrier. The accumulation of aluminum in the body may cause bone or brain diseases. High levels of aluminum have been linked to Alzheimer's disease. A small percentage of people are allergic to aluminium and experience contact dermatitis, digestive disorders, vomiting or other symptoms upon contact or ingestion of products containing aluminium. (7, 8)
SymptomsInhalating aluminum dust causes coughing and abnormal chest X-rays. A small percentage of people are allergic to aluminium and experience contact dermatitis, digestive disorders, vomiting or other symptoms upon contact or ingestion of products containing aluminium. (7, 8)
TreatmentEYES: irrigate opened eyes for several minutes under running water. INGESTION: do not induce vomiting. Rinse mouth with water (never give anything by mouth to an unconscious person). Seek immediate medical advice. SKIN: should be treated immediately by rinsing the affected parts in cold running water for at least 15 minutes, followed by thorough washing with soap and water. If necessary, the person should shower and change contaminated clothing and shoes, and then must seek medical attention. INHALATION: supply fresh air. If required provide artificial respiration.
Concentrations
Not Available
DrugBank IDDB11081
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkAluminium chloride
Chemspider IDNot Available
ChEBI ID30114
PubChem Compound ID24012
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available