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Dichromate

Athanor · official

Cr2O7-2 · 215.99 g/mol

IUPAC name: oxido-(oxido(dioxo)chromio)oxy-dioxochromium

Also called Cr2O7 2-

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

Names and identifiers

IUPAC name
oxido-(oxido(dioxo)chromio)oxy-dioxochromium
Synonyms
Cr2O7 2-, Bichromate, Dichromate ion
+ 33 more

Dichromate ion(2-), Dichromate(2-), Dichromat, Chromate (Cr2O72-), UNII-9LKY4BFN2V, 9LKY4BFN2V, Dichromate (Cr2O72-), Chromate (Cr2O7 2-), Chromate (Cr2O7(2-)), mu-oxo-hexaoxodichromate(VI), mu-oxo-hexaoxodichromate(2-), DTXSID5074004, CHEBI:33141, Cr2O7(2-), mu-oxido-bis(trioxidochromate)(2-), CHROMIC ACID (H2CR2O7), ION(2-), (Cr2O7)(2-), [Cr2O7](2-), RefChem:57340, DTXCID0034510, Cr2O72?, Dichromate Standard: Cr2O7(-2) @ 1000 microg/mL in H2O, Dichromate Standard: Cr2O7(-2) @ 10000 microg/mL in H2O, oxido-(oxido(dioxo)chromio)oxy-dioxochromium, Cr2O72-, SCHEMBL29470907, SCHEMBL41563731, mu-Oxidohexakis(oxido)dichromate(2-), DB14182, NCGC00090755-03, NCGC00090755-04, NCGC00090755-05, Q27115574

Molecular formula
Cr2O7-2
Empirical formula
Cr2O7
Molecular weight
215.99 g/mol
Exact mass
215.84541
CAS number
13907-47-6
PubChem CID
24503
Canonical SMILES
[O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-]
Isomeric SMILES
[O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-]
InChI
InChI=1S/2Cr.7O/q;;;;;;;2*-1
InChIKey
SOCTUWSJJQCPFX-UHFFFAOYSA-N
Molfile

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

Calculated

Heavy atoms
9
Rings
0
Aromatic rings
0
Fraction sp³ carbons (Fsp3)
0
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
2 computed here · PubChem 0
TPSA (Ų)
123.6 computed here · PubChem 124
Formal charge
-2
Complexity
194 PubChem
Stereocenters
None
Double-bond geometry
None specified
Point group
C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

  • Cr48.15%
  • O51.85%

Isotope pattern

211.85710%213.8511.2%214.851100%215.84523%216.8468.4%217.845218.846219.846

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
-2.93 Crippen (Wildman and Crippen 1999)
log S (water solubility)
0.8 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
6.15 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 215.98
  • log P ≤ 5 (Crippen): -2.93
  • H-bond donors ≤ 5: 0
  • H-bond acceptors ≤ 10: 7

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: EvitaChem, Alfa Chemistry, LGC Standards.

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

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

  1. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  2. ·Literature on PubChem

Data last updated 2026-10-14.