Aluminum chloride

Athanor · official

AlCl₃ · 133.34 g/mol

IUPAC name: aluminum trichloride

Also called aluminum chloride, Friedel-Crafts catalyst, AlCl3

Inorganic

Open in Athanor

Drawn from its SMILES with RDKit

Names and identifiers

IUPAC name: aluminum trichloride
Synonyms: aluminum chloride, Friedel-Crafts catalyst, AlCl3
+ 30 more
Aluminum(III) Chloride, Aluminium chloride anhydrous, aluminium (III) chloride, aluminium (3+) trichloride, aluminiumchloride, Aluminumchloride, aluminum chlorid, aluminum cloride, alumimum chloride, aluminum-chloride, trichloroaluminium, chloride Aluminium, aluminum chloride-, aluminiumtrichloride, aluminum;trichloride, aluminum tri-chloride, Aluminium(III)chloride, aluminium(III)-chloride, SCHEMBL84, aluminum (III) chloride, aluminum-(III)-chloride, aluminum (III) trichloride, ALUMINUM CHLORIDE [MI], ALUMINUM CHLORIDE [HSDB], ALUMINIUM MURIATICUM [HPUS], ALUMINIUM CHLORIDE [WHO-DD], AKOS015833125, AKOS025243469, A1831, F044715
Molecular formula: AlCl₃
Empirical formula: AlCl₃
Molecular weight: 133.34 g/mol
Exact mass: 131.88810
CAS number: 7446-70-0
PubChem CID: 6451240
Canonical SMILES: [Al+3].[Cl-].[Cl-].[Cl-]
Isomeric SMILES: [Al+3].[Cl-].[Cl-].[Cl-]
InChI: InChI=1S/Al.3ClH/h;3*1H/q+3;;;/p-3
InChIKey: VSCWAEJMTAWNJL-UHFFFAOYSA-K
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Calculated

Heavy atoms: 4
Rings: 0
Aromatic rings: 0
Fraction sp³ carbons (Fsp3): 0
H-bond donors: 0
H-bond acceptors: 0 computed here · PubChem 3
Rotatable bonds: 0
TPSA (Å²): 0
Formal charge: 0
Complexity: 0 PubChem
Stereocenters: None
Double-bond geometry: None specified
Point group: Kh of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

Al20.24%
Cl79.76%

Isotope pattern

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P: -9.37 Crippen (Wildman and Crippen 1999)
log S (water solubility): 5.24 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 7.59 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 133.34
log P ≤ 5 (Crippen): -9.37
H-bond donors ≤ 5: 0
H-bond acceptors ≤ 10: 0

Passes all four rules.

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

No GHS hazard classification was found in the sources.

Safety data sheets on the supplier’s page: ChemoSapiens, Thermo Fisher Scientific, AKos Consulting & Solutions.

Always read the supplier’s safety data sheet before working with it.

Spectra

Experimental spectra held by these sources; each link opens the source's own record.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

[1]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
·Literature on PubChem

Data last updated 2026-10-14.