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7681-52-9 structure

Sodium hypochlorite

Iupac Name:sodium;hypochlorite
CAS No.:7681-52-9
EINECS(EC#): 231-668-3
Molecular Weight:74.439
Molecular Formula:ClNaO (isomer)
1. Names and Identifiers
1.1 Synonyms

7681-52-9 AC1Q1VAQ ACMC-20ajo6 ad gel AK175376 AKOS015950665 antiformin ANTIFORMIN, DENTAL b-k liquid b-kliquid carrel-dakin solution carrel-dakinsolution CAS-7681-52-9 caswell no. 776 caswellno776 ccris 708 CHEBI:32146 CHEMBL1334078 chlorinated water (sodium hypochlorite) chloros chlorox cloralex cloropool clorox clorox liquid bleach CTK3J2241 D01711 Dakins half Dakins quarter dakins solution dakin's solution Dental antiformin deosan deosan green label steriliser Di-Dak-Sol dispatch DSSTox_CID_1276 DSSTox_GSID_21276 DSSTox_RID_76052 DTXSID8021276 DY38VHM5OD EC 231-668-3 einecs 231-668-3 epa pesticide chemical code 014703 hospital milton household bleach hsdb 748 hyclorite hypochlorite sodium hypochlorous acid, sodium salt Hypochlorous acid, sodium salt (1:1) hyposan and voxsan hypure hypure n I14-98906 IN002100 IN019054 javel water javelle water javex klorocin LS-2426 mfcd00011120 milton milton crystals modified dakin's solution naclo naocl NCGC00091027-01 neo-cleaner neoseptal cl parozone purin b Q-200732 RP18341 RTR-037749 S0939 S345 SODA BLEACHING LYE sodium hypo chlorite sodium hypochiorite sodium hypochloride sodium hypochlorite (jan/usp) sodium hypochlorite (naclo) sodium hypochlorite (naocl) sodium hypochlorite [hypochloride salts] SODIUM HYPOCHLORITE [SOLUTION, DILUTED] sodium hypochlorite [usan:jan] Sodium hypochlorite [USP:JAN] sodium hypochlorite solution sodium hypochlorite solution (15% or less) Sodium Hypochlorite solution 6-14% Sodium hypochlorite, 10-15% active chlorine sodium hypochlorite, 14% solution Sodium hypochlorite, 5% active chlorine sodium hypochlorite, aqueous solution, 12-15% available chlorine sodium oxychloride sodiumhypochlorite solutions, dakin's SUKJFIGYRHOWBL-UHFFFAOYSA-N sunnysol 150 surchlor Surgical chlorinated soda solution TEEPOL BLEACH texant texant (tn) Tox21_111062 TR-037749 un 1791 UNII-DY38VHM5OD xy 12 youxiaolin

1.2 Inchi
InChI=1S/ClO.Na/c1-2;/q-1;+1
1.3 InChkey
SUKJFIGYRHOWBL-UHFFFAOYSA-N
1.4 Canonical Smiles
[O-]Cl.[Na+]
1.5 Isomers Smiles
[O-]Cl.[Na+]
2. 3D Conformer
3. Properties
3.1 Appearance
colourless liquid with strong odour
3.2 Density
1.25 g/mL at 20 °C
3.3 Melting Point
-16 °C
3.4 Boiling Point
111 °C
3.5 Vapour
Vapor pressure, kPa at 20 °C: 2 - 2.5
3.6 Solubility
Decomposes.
3.7 Color/Form
Greenish yellow liquid
Anhydrous
3.8 Other physical and chemical properties
SODIUM HYPOCHLORITE; is a colorless or slightly yellow watery liquid with an odor of household bleach. Mixes with water;. (USCG, 1999)
3.9 Stability
Stable. Contact with acids releases poisonous gas ( chlorine ). Light sensitive. Incompatible with strong acids, amines, ammonia, ammonium salts, reducing agents, metals, aziridine, methanol, formic acid, phenylacetonitrile.
3.9 Stability
3.10 HS Code
2828900000
3.11 Storage temp
2-8°C
4. Safety and Handling
4.1 Hazard Codes
C
4.1 Risk Statements
31-34-36/38-36/37/38
4.2 Safety Statements
26-36/37/39-45-50A-28A-36
4.3 HazardClass
8
4.3 Hazard Note
H315; H318; H400
4.4 PackingGroup
III
4.5 Skin, Eye, and Respiratory Irritations
It has a pronounced irritant effect on the skin.
Irritating to skin and eyes. /Monohydrate/
4.6 Cleanup Methods
Environmental considerations-land spill: Dig a pit, pond, lagoon, holding area to contain liquid or solid material. /SRP: If time permits, pits, ponds, lagoons, soak holes, or holding areas should be sealed with an impermeable flexible membrane liner./ Dike surface flow using soil, sand bags, foamed polyurethane, or foamed concrete; absorb bulk liquid with fly ash or cement powder; neutralize with agricultural lime (CaO), crushed limestone (CaCO3), or sodium bicarbonate (NaHCO3) /Sodium hypochlorite soln (Hypochlorite soln containing not more than 7% available chlorine, by wt)/
Environmental considerations- water spill: Neutralize with agricultural lime (CaO), crushed limestone (CaCO3), or sodium bicarbonate (NaHCO3); if dissolved, in region of 10 ppm or greater concn, apply activated carbon at 10 times the spilled amt; use mechanical dredges or lifts to remove immobilized masses of pollutants and precipitates. /Sodium hypochlorite soln (Hypochlorite soln containing not more than 7% available chlorine, by wt)/
Environmental considerations- air spill: Apply water spray or mist to knock down vapors. /Sodium hypochlorite soln (Hypochlorite soln containing not more than 7% available chlorine, by wt)/
4.7 Transport
UN 1791
4.8 Fire Fighting Procedures
If material involved in fire: Extinguish fire using agent suitable for type of surrounding fire. (Material itself does not burn or burns with difficulty.) Use water in flooding quantities as fog. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. /Hypochlorite soln (containing more than 7% available chlorine, by wt)/
Cool exposed containers with water. /Monohydrate/
4.9 Fire Potential
Fire risk in contact with org materials.
Not flammable /SRP: Acts as oxidizer with combustible material./
4.10 Formulations/Preparations
USEPA/OPP Pesticide Code 014703; Trade Names: Antiformin, B-K liquid, Chlorox, Dakin's solution, Hychlorite, Milton, Mera Industries 2MOM3B, Chloros, Javelle water, Piochlor, Purex.
Modified Dakin's soln; surgical chlorinated soda solution; Carrel-Dakin soln. /Sodium hypochlorite diluted/
Eau de Labarraque; Clorox; Dazzle /aq soln/
Strongly alkaline soln of sodium hypochlorite; 100 ml contains 5.68 g active chlorine, 7.8 g sodium hydroxide, 32 g sodium bicarbonate. /Sodium hypochlorite soln, alkaline/
Topical, as solution containing 0.15 to 0.5% of sodium hypochlorite. The full-strength soln contains 0.5% sodium hypochlorite; to prepare the 0.15% solution it should be diluted 1 to 3. /Sodium hypochlorite solution, diluted/
The official solution (NF) contains between 4 and 6% sodium hypochlorite dilute solutions of the Carrel-Dakin type are about 0.5% sodium hypochlorite.
/Available in/ 15% industrial grade 15% & 20% solution grades 17.5%, 13.2%, 7.0% and 5.0% industrial grades.
Clorox liquid bleach: 5-10% Sodium Hypochlorite; Cloropool: 5.25% sodium hypochlorite; Clorozone: 5.0% sodium hypochlorite
Sold as aqueous solution at 5-40% concentration
Antiforminum Dentale: Dental sodium hypochlorite soln. Labarraque's soln.
4.11 DOT Emergency Guidelines
/GUIDE 154: SUBSTANCES - TOXIC AND/OR CORROSIVE (NON-COMBUSTIBLE)/ Health: TOXIC; inhalation, ingestion, or skin contact with material may cause severe injury or death. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution. /Hypochlorite solution; Hypochlorite solution, with more than 5% available Chlorine/
/GUIDE 154: SUBSTANCES - TOXIC AND/OR CORROSIVE (NON-COMBUSTIBLE)/ Fire or Explosion: Non-combustible, substance itself does not burn but may decompose upon heating to produce corrosive and/or toxic fumes. Some are oxidizers and may ignite combustibles (wood, paper, oil, clothing, etc.). Contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. /Hypochlorite solution; Hypochlorite solution, with more than 5% available Chlorine/
/GUIDE 154: SUBSTANCES - TOXIC AND/OR CORROSIVE (NON-COMBUSTIBLE)/ Public Safety: CALL Emergency Response Telephone Number. As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate enclosed areas. /Hypochlorite solution; Hypochlorite solution, with more than 5% available Chlorine/
/GUIDE 154: SUBSTANCES - TOXIC AND/OR CORROSIVE (NON-COMBUSTIBLE)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Wear chemical protective clothing that is specifically recommended by the manufacturer. It may provide little or no thermal protection. Structural firefighters' protective clothing provides limited protection in fire situations ONLY; it is not effective in spill situations where direct contact with the substance is possible. /Hypochlorite solution; Hypochlorite solution, with more than 5% available Chlorine/
/GUIDE 154: SUBSTANCES - TOXIC AND/OR CORROSIVE (NON-COMBUSTIBLE)/ Evacuation: Fire: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. /Hypochlorite solution; Hypochlorite solution, with more than 5% available Chlorine/
/GUIDE 154: SUBSTANCES - TOXIC AND/OR CORROSIVE (NON-COMBUSTIBLE)/ Fire: Small fires: Dry chemical, CO2 or water spray. Large fires: Dry chemical, CO2, alcohol-resistant foam or water spray. Move containers from fire area if you can do it without risk. Dike fire control water for later disposal; do not scatter the material. Fire involving tanks or car/trailer loads: Fight fire from maximum distance or use unmanned hose holders or monitor nozzles. Do not get water inside containers. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks engulfed in fire. /Hypochlorite solution; Hypochlorite solution, with more than 5% available Chlorine/
/GUIDE 154: SUBSTANCES - TOXIC AND/OR CORROSIVE (NON-COMBUSTIBLE)/ Spill or Leak: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. DO NOT GET WATER INSIDE CONTAINERS. /Hypochlorite solution; Hypochlorite solution, with more than 5% available Chlorine/
/GUIDE 154: SUBSTANCES - TOXIC AND/OR CORROSIVE (NON-COMBUSTIBLE)/ First Aid: Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Do not use mouth-to-mouth method if victim ingested or inhaled the substance; give artificial respiration with the aid of a pocket mask equipped with a one-way valve or other proper respiratory medical device. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. In case of contact with substance, immediately flush skin or eyes with running water for at least 20 minutes. For minor skin contact, avoid spreading material on unaffected skin. Keep victim warm and quiet. Effects of exposure (inhalation, ingestion or skin contact) to substance may be delayed. Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves. /Hypochlorite solution; Hypochlorite solution, with more than 5% available Chlorine/
4.12 Exposure Standards and Regulations
Sodium hypochlorite is an indirect food additive for use only as a component of adhesives.
4.13 Reactivities and Incompatibilities
Chlorination of ethyleneimine with sodium hypochlorite gives the explosive compound 1-chloroethyleneimine.
Primary amines and calcium hypochlorite or sodium hypochlorite react to form normal chloroamines, which are explosive.
Hypochlorites react with urea to form nitrogen trichloride which explodes spontaneously in air. /Hypochlorites/
Contact in the drains of an effluent containing the hypochlorite with one containing ammonium salts & acid led to formation of nitrogen trichloride which decomp explosively. Cleaning a brewery tank with an acidified ammonium sulfate cleaning preparation, then sodium hypochlorite soln without intermediate rinsing, led to nitrogen trichloride formation & a violent explosion.
Interaction of ethyleneimine with sodium (or other) hypochlorite gives the explosive N-chloro cmpd.
Removal of formic acid from industrial waste streams with sodium hypochlorite soln becomes explosive at 55 deg C.
Several explosions involving methanol and sodium hypochlorite were attributed to formation of methyl hypochlorite, especially in presence of acids or other esterification catalyst.
Use of sodium hypochlorite soln to destroy acidified benzyl cyanide residues caused a violent explosion, thought to have been due to formation of nitrogen trichloride.
Explosive reaction with formic acid (at 55 deg C); phenylacetonitrile. Reacts to form explosive products with amines; ammonium salts ... ; aziridine; methanol.
Decomposition of sodium hypochlorite takes place within a few seconds with the following salts: ammonium acetate, ammonium carbonate, ammonium nitrate, ammonium oxalate, & ammonium phosphate.
4.14 Other Preventative Measures
If material not involved in fire: Keep material out of water sources and sewers; build dike to contain flow as necessary. /Hypochlorite soln (containing more than 7% available chlorine, by wt)/
Personnel protection: Avoid breathing vapors. Keep upwind. Avoid bodily contact with the material. Do not handle broken packages unless wearing appropriate personal protective equipment. Wash away any material which may have contacted the body with copious amt of water or soap and water. If contact with the material anticipated, wear appropriate chemical protective clothing. /Hypochlorite soln (containing more than 7% available chlorine, by wt)/
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
4.15 Protective Equipment and Clothing
It has a pronounced irritant effect on the skin.
Irritating to skin and eyes. /Monohydrate/
4.16 Disposal Methods

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin corrosion, Category 1B

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H314 Causes severe skin burns and eye damage

H400 Very toxic to aquatic life

Precautionary statement(s)
Prevention

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P273 Avoid release to the environment.

Response

P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P363 Wash contaminated clothing before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P310 Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P391 Collect spillage.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

8. Computational chemical data
  • Molecular Weight:74.439g/mol
  • Molecular Formula:ClNaO
  • Compound Is Canonicalized:True
  • Exact Mass:73.954
  • Monoisotopic Mass:73.954
  • Complexity:4.8
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:23.1A^2
  • Heavy Atom Count:3
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADcQAAICAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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