Names and identifiers
- IUPAC name
- hypochlorite
- Synonyms
- bleach, OCl-, Hypochlorite ion
+ 22 more
T5UM7HB19N, DTXSID8073136, CHEBI:29222, RefChem:55382, DTXCID6034689, SUPERCLEAN Micro Acid Hypochlorite Disinfectant, 807-894-9, Hypochlorites, UNII-T5UM7HB19N, hypochiorite, hypochloride, hypochorite, Hypochlorit, oxidochlorate(1-), UN3212, ClO(-), [ClO](-), HYPOCHLOROUS ACID, ION(1-), DB11123, HYPOCHLORITES, INORGANIC, N.O.S., Q409049, Hypochlorites, inorganic, n.o.s. [UN3212] [Oxidizer]
- Molecular formula
- ClO-
- Empirical formula
- ClO
- Molecular weight
- 51.45 g/mol
- Exact mass
- 50.96377
- CAS number
- 14380-61-1
- PubChem CID
- 61739
- Canonical SMILES
- [O-]Cl
- Isomeric SMILES
- [O-]Cl
- InChI
- InChI=1S/ClO/c1-2/q-1
- InChIKey
- WQYVRQLZKVEZGA-UHFFFAOYSA-N
- Molfile
Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.
Physical properties
- Appearance
- Salts between a metal ion (most commonly the sodium ion, calcium ion, or potassium ion) and the hypochlorite group ClO-. Toxic by ingestion and inhalation. Powerful irritants to the skin, eyes and mucous membranes. May cause ignition when in contact with organic materials. When involved in a fire they may accelerate combustion or cause an explosion.[1]
Each value as its source reports it, with the source's number after it (listed under References). Where several sources report a property, the row shows the value most of them agree on, the rule the app uses; open the values to see every one.
Calculated
- Heavy atoms
- 2
- Rings
- 0
- Aromatic rings
- 0
- Fraction sp³ carbons (Fsp3)
- 0
- H-bond donors
- 0
- H-bond acceptors
- 1
- Rotatable bonds
- 0
- TPSA (Ų)
- 23.1
- Formal charge
- -1
- XLogP3
- 0.2 PubChem
- Complexity
- 2 PubChem
- Stereocenters
- None
- Double-bond geometry
- None specified
- Point group
- C∞v of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)
Elemental analysis
- Cl68.90%
- O31.10%
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
- -0.5 Crippen (Wildman and Crippen 1999)
- log S (water solubility)
- 0.16 ESOL (Delaney 2004), log mol/L
- Synthetic accessibility
- 4.23 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)
Drug-likeness: Lipinski’s rule of five
- Molecular weight ≤ 500: 51.45
- log P ≤ 5 (Crippen): -0.5
- H-bond donors ≤ 5: 0
- H-bond acceptors ≤ 10: 1
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.
First aid
- Excerpt from ERG Guide 140 [Oxidizers]: Refer to the "General First Aid" section. Specific First Aid: Contaminated clothing may be a fire risk when dry. (ERG, 2024)[1]
Safety data sheets on the supplier’s page: BenchChem, MuseChem, EvitaChem.
Always read the supplier’s safety data sheet before working with it.
Literature
Reading PubChem, OpenAlex and GSRS…
Bioactivity
Reading ChEMBL…
References
- [1]CAMEO Chemicals · Public domain (NOAA) · 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.