Nickel(II) chloride
Athanor · official
Cl2Ni · 129.6 g/mol
IUPAC name: nickel(2+) dichloride
Names and identifiers
- IUPAC name
- nickel(2+) dichloride
- Synonyms
- Cl2Ni, Nickel-63(II) chloride, 63-Nickel chloride
+ 14 more
63-Nickel dichloride, nickel(2+) dichloride, Nickel chloride (63NiCl2), SCHEMBL24279, NICKEL CHLORIDE [MI], NICKEL CHLORIDE [HSDB], Tox21_302175, s12327, NCGC00255504-01, CAS-7718-54-9, N0850, N0851, NS00089276, F494386
- Molecular formula
- Cl2Ni
- Empirical formula
- Cl2Ni
- Molecular weight
- 129.6 g/mol
- Exact mass
- 127.87305
- CAS number
- 7718-54-9
- PubChem CID
- 158404
- Canonical SMILES
- [Cl-].[Cl-].[Ni+2]
- Isomeric SMILES
- [Cl-].[Cl-].[Ni+2]
- InChI
- InChI=1S/2ClH.Ni/h2*1H;/q;;+2/p-2
- InChIKey
- QMMRZOWCJAIUJA-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
- Cl54.71%
- Ni45.29%
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
- -5.99 Crippen (Wildman and Crippen 1999)
- log S (water solubility)
- 3.13 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: 129.6
- log P ≤ 5 (Crippen): -5.99
- 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: J&H Chemical Co.,ltd, LGC Standards, AEZ Kimya.
Always read the supplier’s safety data sheet before working with it.
Literature
Reading PubChem, OpenAlex and GSRS…
Bioactivity
Reading ChEMBL…
References
- ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
- ·Literature on PubChem
Data last updated 2026-10-14.