Sodium hypochlorite (CHEM003926)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2014-10-02 22:26:52 UTC
Update Date2016-11-09 01:09:15 UTC
Accession NumberCHEM003926
Identification
Common NameSodium hypochlorite
ClassSmall Molecule
DescriptionSodium Hypochlorite is the sodium salt of hypochlorous acid. When dissolved in water it is commonly known as bleach or liquid bleach, and is frequently used as a disinfectant or a bleaching agent. Household bleach is, typically a solution containing 3-8% sodium hypochlorite and 0.01-0.05% sodium hydroxide. The sodium hydroxide is used to slow the decomposition of sodium hypochlorite into sodium chloride and sodium chlorate. In household form, sodium hypochlorite is used for removal of stains from laundry. It is particularly effective on cotton fiber, which stains easily but bleaches well. Most sodium hyphchlorite is sold in aqueous solutions of varying concentrations.
Contaminant Sources
  • Clean Air Act Chemicals
  • EAFUS Chemicals
  • FooDB Chemicals
  • HPV EPA Chemicals
  • IARC Carcinogens Group 3
  • OECD HPV Chemicals
  • T3DB toxins
  • ToxCast & Tox21 Chemicals
Contaminant Type
  • Disinfectant
  • Industrial/Workplace Toxin
  • Lachrymator
  • Synthetic Compound
Chemical Structure
Thumb
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
Pathways
NameSMPDB LinkKEGG Link
PenicillinsNot AvailableNot Available
Antiviral AgentsNot AvailableNot Available
Fatty acid MetabolismSMP00051 map00071
ApoptosisNot Availablemap04210
Antifungal AgentsNot AvailableNot Available
Sulfur metabolismNot Availablemap00920
Rna polymeraseNot Availablemap03020
Oxidative phosphorylationNot Availablemap00190
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot 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
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-00di-9000000000-af546d0aa1567991a144Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-00di-9000000000-af546d0aa1567991a144Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-00di-9000000000-2f23d1a7b4470cb8289bSpectrum
Toxicity Profile
Route of ExposureDermal
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.
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)3, not classifiable as to its carcinogenicity to humans. (1)
Uses/SourcesSodium hypochlorite is frequently used as a disinfectant or a bleaching agent.
Minimum Risk LevelNot Available
Health EffectsChlorine Bleach is a strong corrosive material. Sodium hypochlorite solutions frequently produce small amounts of chlorine gas. If inhaled, chlorine can trigger cough, substernal pain, respiratory distress, shortness of breath, and wheezing. Symptoms may be delayed. Nausea and vomiting are reflex in origin, and headache and loss of consciousness are probably due to the hypoxia caused by pulmonary edema. Dermal contact can lead to redness, pain, and redness of the exposed surface. Eye contact can lead to watering of the eyes. Ingestion can cause pulmonary edema, vomiting or coma. Exposure to the skin may cause sensitization or other allergic responses. If the eye is not irrigated immediately after it has been exposed permanent eye damage may occur. Toxicity described in animals from single low-dose (1% solution) exposures by ingestion include muscular weakness, and hypoactivity. Long-term administration of compound in drinking water of rats caused depression of the immune system. No adverse changes were observed in an eight week dermal study of a 1% solution in guinea pigs. Tests in animals demonstrate no carcinogenic activity by either the oral or dermal routes.
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.
Concentrations
Not Available
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.