Sodium hypochlorite (CED0001351)

Record Information
Version1.0
Creation Date2014-10-02 22:26:52 UTC
Update Date2026-04-17 19:05:29 UTC
Accession NumberCHEM003926
Identification
Common NameSodium hypochlorite
ClassSmall Molecule
Description
Sodium hypochlorite (ClNaO) is an inorganic compound with an average molecular weight of 74.44 g/mol. It is a solid at room temperature and is exogenous in origin. Sodium hypochlorite belongs to the alkali metal hypochlorites, a subclass of alkali metal oxoanionic compounds within the inorganic compounds. It is further classified as a mixed metal/non-metal compound. Industrially, the compound serves as a bleaching agent, oxidizing agent, biocide, filler, and food preservative. It is found in or released from 12 recorded sources, including building and construction materials such as floors; household cleaning and consumer products like soap dispensers, other smoking requisites, and tobacco product cases; electrical and electronic equipment including antennas, video games, sparking plugs, and cores yokes or armatures; and food, food processing and cookware, specifically in the processing of fish and the preparation of wort, vinegar, and malt. Regarding health effects, sodium hypochlorite is associated with an increase in dermatitis (PMC10119858).
Contaminant Type
  • Disinfectant
  • Human Neurotoxin
  • Industrial/Workplace Toxin
  • Lachrymator
  • Synthetic Compound
Chemical Structure
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
Hypochlorite sodiumChEBI
Hypochlorous acid, sodium saltChEBI
NaClOChEBI
NaOClChEBI
Sodium oxychlorideChEBI
TexantChEBI
CloroxMeSH
Hypochlorite, sodiumMeSH
Sodium hypochlorite (solution)MeSH
AntiforminMeSH
Chemical FormulaClNaO
Average Molecular Mass74.442 g/mol
Monoisotopic Mass73.954 g/mol
CAS Registry Number7681-52-9
IUPAC Namesodium hypochlorite
Traditional Namesodium hypochlorite
SMILES[Na+].[O-]Cl
InChI IdentifierInChI=1S/ClO.Na/c1-2;/q-1;+1
InChI KeySUKJFIGYRHOWBL-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of inorganic compounds known as alkali metal hypochlorites. These are inorganic compounds in which the largest oxoanion is hypochlorite, and in which the heaviest atom not in an oxoanion is an alkali metal.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassAlkali metal oxoanionic compounds
Sub ClassAlkali metal hypochlorites
Direct ParentAlkali metal hypochlorites
Alternative Parents
Substituents
  • Alkali metal hypochlorite
  • Inorganic sodium salt
  • Inorganic oxide
  • Inorganic salt
Molecular FrameworkNot Available
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Plasma Membrane
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateSolid
AppearanceGreenish-yellow solid (pentahydrate) or yellow liquid (as bleach).
Experimental Properties
PropertyValue
Melting Point18 °C
Boiling Point101 °C
Solubility29.3 g/100mL
Predicted Properties
PropertyValueSource
logP0.32ChemAxon
pKa (Strongest Acidic)10.13ChemAxon
pKa (Strongest Basic)-4.9ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area23.06 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity7.58 m³·mol⁻¹ChemAxon
Polarizability3.15 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-9000000000-af546d0aa1567991a144Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-9000000000-af546d0aa1567991a144Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-9000000000-2f23d1a7b4470cb8289bNot AvailableView Spectrum
Toxicity Profile
Mechanism of ToxicitySodium hypochlorite is a strong oxidizer. Oxidation reactions are corrosive, solutions burn skin and cause eye damage, especially when used in concentrated forms. In particular, hypochorite (HOCl) is known to cause post-translational modifications to amino acids in proteins, the notable ones being cysteine and methionine oxidation. These oxidation reactions can lead to widespread protein aggregation and denaturation, leading to cell death and tissue damage. It is estimated that there are about 3300 accidents needing hospital treatment caused by sodium hypochlorite solutions each year in British homes. A recent European study indicated that sodium hypochlorite and organic chemicals (e.g., surfactants, fragrances) contained in several household cleaning products can react to generate chlorinated volatile organic compounds (VOCs). Some of these VOCs are toxic and probable human carcinogens. The study showed that indoor air concentrations significantly increase (8-52 times for chloroform and 1-1170 times for carbon tetrachloride, respectively, above baseline quantities in the household) during the use of bleach containing products. Sodium Hypochlorite reacts violently with amines and ammonium salts. Solutions are reactive with common cleaning products such as toilet bowl cleaners, rust removers, vinegar, acids, organics and ammonia products to produce hazardous gases such as chlorine and other chlorinated species.
Carcinogenicity (IARC Classification)3, not classifiable as to its carcinogenicity to humans. (1)
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentEYES: irrigate opened eyes for several minutes under running water. INGESTION: do not induce vomiting. Rinse mouth with water (never give anything by mouth to an unconscious person). Seek immediate medical advice. SKIN: should be treated immediately by rinsing the affected parts in cold running water for at least 15 minutes, followed by thorough washing with soap and water. If necessary, the person should shower and change contaminated clothing and shoes, and then must seek medical attention. INHALATION: supply fresh air. If required provide artificial respiration.
Toxicity ValuesNot Available
Health Effects
Health EffectRelationshipDirectionReference
dermatitisassociated_withincreasePMC10119858
Exposure Sources
Source IDSourceSectorReference
497FloorsBuilding & ConstructionNot Available
506AntennasElectrical & Electronic EquipmentNot Available
513Cores Yokes Or ArmaturesElectrical & Electronic EquipmentNot Available
533Sparking PlugsElectrical & Electronic EquipmentNot Available
539Video GamesElectrical & Electronic EquipmentNot Available
547Preparation Of MaltFood, food processing & cookwareNot Available
548Preparation Of VinegarFood, food processing & cookwareNot Available
550Preparation Of WortFood, food processing & cookwareNot Available
551Processing FishFood, food processing & cookwareNot Available
560Other Smoking RequisitesHousehold cleaning & consumer productsNot Available
564Soap DispensersHousehold cleaning & consumer productsNot Available
567Tobacco Product CasesHousehold cleaning & consumer productsNot Available
584BuoysMarine, shipping & aquacultureNot Available
592Marine Propulsion Or SteeringMarine, shipping & aquacultureNot Available
601Lawn MowersAgriculture & land managementNot Available
616Face Mask CosmeticsPersonal care & cosmeticsNot Available
622Game AccessoriesRecreation & sports surfacesNot Available
624Merry Go RoundsRecreation & sports surfacesNot Available
639Degreasing LeatherTextiles, leather & furnishingsNot Available
640Embroidering And TuftingTextiles, leather & furnishingsNot Available
647Multicolour DyeingTextiles, leather & furnishingsNot Available
653SewingTextiles, leather & furnishingsNot Available
661UmbrellasTextiles, leather & furnishingsNot Available
663Sanitary EquipmentWastewater, sanitation & biosolidsNot Available
Pathways
8 pathways
Penicillins
Penicillins
Antiviral Agents
Antiviral Agents
Fatty acid Metabolism
Fatty acid Metabolism
Apoptosis
Apoptosis
Antifungal Agents
Antifungal Agents
Sulfur metabolism
Sulfur metabolism
Rna polymerase
Rna polymerase
Oxidative phosphorylation
Oxidative phosphorylation
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structure3-isopropylmalate dehydrogenaseQ5SIY4Thermus thermophilusPredicted (SEA)471.844
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)7784.46
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)7784.61
Dual specificity protein phosphatase 5 structureClick to view 3D structureDual specificity protein phosphatase 5Q16690HumansPredicted (SEA)3081.19
Click to view 3D structureFree fatty acid receptor 3B2GV46Rattus norvegicusPredicted (SEA)5571.44
Click to view 3D structureIsopentenyl-diphosphate Delta-isomerase 1O35760Rattus norvegicusPredicted (SEA)521.979
Click to view 3D structureFarnesyl pyrophosphate synthaseP05369Rattus norvegicusPredicted (SEA)521.979
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)7784.69
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)7784.53
Click to view 3D structureType IV secretion-like conjugative transfer relaxase protein TraIB1LRJ1Escherichia coli (strain SMS-3-5 / SECEC)Predicted (SEA)344.094
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)7784.77
Click to view 3D structureMultidrug and toxin extrusion protein 1Q8K0H1Mus musculusPredicted (SEA)6678.84
Click to view 3D structureProtein translocase subunit SecA 2Q2FUW6Staphylococcus aureus (strain NCTC 8325)Predicted (SEA)5439.4
Click to view 3D structureP2Y purinoceptor 4P51582HumansPredicted (SEA)7779.4
Click to view 3D structureBeta-carbonic anhydrase 1P9WPJ7Mycobacterium tuberculosisPredicted (SEA)7783.91
Lymphotoxin-alpha structureClick to view 3D structureLymphotoxin-alphaP01374HumansPredicted (SEA)5141.47
Click to view 3D structureP2X purinoceptor 2P49653Rattus norvegicusPredicted (SEA)7780.25
P2Y purinoceptor 12 structureClick to view 3D structureP2Y purinoceptor 12Q9H244HumansPredicted (SEA)7784.3
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)7784.61
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)7784.53
Click to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)7784.61
Phospholipase A and acyltransferase 4 structureClick to view 3D structurePhospholipase A and acyltransferase 4Q9UL19HumansPredicted (SEA)7332.46
Click to view 3D structurePhospholipase A and acyltransferase 5Q96KN8HumansPredicted (SEA)7332.46
Phospholipase A and acyltransferase 3 structureClick to view 3D structurePhospholipase A and acyltransferase 3P53816HumansPredicted (SEA)7332.46
Phospholipase A and acyltransferase 2 structureClick to view 3D structurePhospholipase A and acyltransferase 2Q9NWW9HumansPredicted (SEA)7332.46
Concentrations
Not Available
External Links
DrugBank IDDBSALT001517
HMDB IDHMDB0303519
FooDB IDFDB015395
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkSodium_hypochlorite
Chemspider ID22756
ChEBI ID32146
PubChem Compound IDNot Available
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=19707590
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=23011474
3. https://www.ncbi.nlm.nih.gov/pubmed/?term=23355285
4. https://www.ncbi.nlm.nih.gov/pubmed/?term=23701220
5. https://www.ncbi.nlm.nih.gov/pubmed/?term=23710836
6. https://www.ncbi.nlm.nih.gov/pubmed/?term=23892500
7. https://www.ncbi.nlm.nih.gov/pubmed/?term=24308707
8. https://www.ncbi.nlm.nih.gov/pubmed/?term=24331991
9. https://www.ncbi.nlm.nih.gov/pubmed/?term=24417739
10. https://www.ncbi.nlm.nih.gov/pubmed/?term=24554854
11. https://www.ncbi.nlm.nih.gov/pubmed/?term=24554863
12. https://www.ncbi.nlm.nih.gov/pubmed/?term=24701613
13. https://www.ncbi.nlm.nih.gov/pubmed/?term=24717113
14. https://www.ncbi.nlm.nih.gov/pubmed/?term=24784510
15. https://www.ncbi.nlm.nih.gov/pubmed/?term=24862721
16. https://www.ncbi.nlm.nih.gov/pubmed/?term=30689457
17. https://www.ncbi.nlm.nih.gov/pubmed/?term=32336370
18. https://www.ncbi.nlm.nih.gov/pubmed/?term=32414067
19.