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Barium chloride

Athanor · official

BaCl2 · 208.23 g/mol

IUPAC name: barium(2+) dichloride

Inorganic
Open in Athanor
The structure of Barium chloride
Drawn from its SMILES with RDKit

Names and identifiers

IUPAC name
barium(2+) dichloride
Synonyms
barium(2+) dichloride, Barium Chloride Anhydrous, barium (II) chloride
+ 23 more

barium (+2) dichloride, bariumchloride, 0.1M Barium chloride, SCHEMBL24274, BARIUM CHLORIDE [MI], Barium chloride, solution R1, BARIUM CHLORIDE [HSDB], CHEMBL3184191, Barium Chloride Soln. 10%W/V, BARIUM CHLORIDE [WHO-DD], STR09090, Tox21_301015, AKOS025293994, NCGC00254917-01, FB164802, CAS-10361-37-2, Chinese Pharmacopoeia 0.1M Barium Chloride, B6328, Q407270, USP Solution Barium Chloride TS/RS Conforms to USP, Barium chloride 1M (+/- 0.05M) solution in water, Barium chloride 0.5M (+/- 0.01M) solution in water, Barium chloride 20% (wt/v) solution in water (+/-0.5%)

Molecular formula
BaCl2
Empirical formula
BaCl2
Molecular weight
208.23 g/mol
Exact mass
207.84295
CAS number
10361-37-2
PubChem CID
5360350
Canonical SMILES
[Cl-].[Cl-].[Ba+2]
Isomeric SMILES
[Cl-].[Cl-].[Ba+2]
InChI
InChI=1S/Ba.2ClH/h;2*1H/q+2;;/p-2
InChIKey
WDIHJSXYQDMJHN-UHFFFAOYSA-L
Molfile

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

Calculated

Heavy atoms
3
Rings
0
Aromatic rings
0
Fraction sp³ carbons (Fsp3)
0
H-bond donors
0
H-bond acceptors
0 computed here · PubChem 2
Rotatable bonds
0
TPSA (Ų)
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

  • Ba65.95%
  • Cl34.05%

Isotope pattern

199.844201.8423.2%203.8428.6%204.84312%205.84220%206.843100%207.84310%208.84061%209.8401.5%210.8389.5%211.837

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
-6.37 Crippen (Wildman and Crippen 1999)
log S (water solubility)
2.88 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
8.31 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 208.23
  • log P ≤ 5 (Crippen): -6.37
  • 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: Oakwood Products, Thermo Fisher Scientific, Biosynth.

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

Data last updated 2026-10-14.