Iron(III) chloride

Athanor · official

Cl₃Fe · 162.2 g/mol

IUPAC name: iron(3+) trichloride

Also called ferric chloride, molysite

Inorganic

Open in Athanor

Drawn from its SMILES with RDKit

Names and identifiers

IUPAC name: iron(3+) trichloride
Synonyms: ferric chloride, molysite, iron(3+) trichloride
+ 16 more
iron(3+);trichloride, CAS-7705-08-0, Cl3Fe, Molysite, Ferric chloride anhydrous, SCHEMBL15400, FERRIC CHLORIDE [II], FERRIC CHLORIDE [MI], FERRIC CHLORIDE [VANDF], FERRIC CHLORIDE [WHO-DD], IRON(III) CHLORIDE [HSDB], Tox21_201882, Tox21_302918, AKOS024438222, NCGC00256555-01, NCGC00259431-01
Molecular formula: Cl₃Fe
Empirical formula: Cl₃Fe
Molecular weight: 162.2 g/mol
Exact mass: 160.84149
CAS number: 7705-08-0
PubChem CID: 166033
Canonical SMILES: [Cl-].[Cl-].[Cl-].[Fe+3]
Isomeric SMILES: [Cl-].[Cl-].[Cl-].[Fe+3]
InChI: InChI=1S/3ClH.Fe/h3*1H;/q;;;+3/p-3
InChIKey: RBTARNINKXHZNM-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

Cl65.57%
Fe34.43%

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: -8.99 Crippen (Wildman and Crippen 1999)
log S (water solubility): 4.82 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 8.16 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 162.2
log P ≤ 5 (Crippen): -8.99
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: RR Scientific, Hunan Chemfish Pharmaceutical Co., Ltd., ChemoSapiens.

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.