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Dichloroisocyanuric acid, sodium salt(CAS No. 2893-78-9)

Dichloroisocyanuric acid, sodium salt C3Cl2N3NaO3 (cas 2893-78-9) Molecular Structure

2893-78-9 Structure

Identification and Related Records

【Name】
Dichloroisocyanuric acid, sodium salt
【CAS Registry number】
2893-78-9
【Synonyms】
1-Sodium-3,5-dichloro-s-triazine-2,4,6-trione
Dichloro-s-triazine-2,4,6-(1H,3H,5H)-trione sodium salt
Sodium dichloroisocyanurate
Dichloroisocyanuric acid sodium salt
troclosene sodium
1,3-Dichloro-6-hydroxy-1,3,5-triazine-2,4-dione sodium salt
sdic
【EINECS(EC#)】
220-767-7
【Molecular Formula】
C3Cl2N3NaO3 (Products with the same molecular formula)
【Molecular Weight】
219.94
【Inchi】
InChI=1/C3H2ClN3O3.ClH/c4-7-2(9)5-1(8)6-3(7)10;/h(H2,5,6,8,9,10);1H/p-2
【Canonical SMILES】
C1(=O)NC(=O)N(C(=O)N1Cl)Cl
【MOL File】
2893-78-9.mol

Chemical and Physical Properties

【Appearance】
white crystalline granular or powder or or Tablets
【Density】
2.06 g/cm3
【Melting Point】
225℃
【Boiling Point】
306.7 °C at 760 mmHg
【Vapour】
7.05E-05mmHg at 25°C
【Flash Point】
139.3 °C
【Water】
30g/100ml (25℃)
【Solubilities】
Soluble in SOLVENT
【Color/Form】
White, crystalline powder, granules
White crystals
【Stability】
Stable. Oxidizing agent - contact with combustible material may lead to fire. Incompatible with strong bases, strong oxidizing agents(??) Reacts readily with many nitrogen-containing compounds to form explosive nitrogen triiodide. Moisture-sensitive.
【Storage temp】
0-6°C
【Spectral properties】
IR: 607 (Coblentz Society Spectral Collection)
【Computed Properties】
Molecular Weight:197.96434 [g/mol]
Molecular Formula:C3HCl2N3O3
XLogP3-AA:0.4
H-Bond Donor:1
H-Bond Acceptor:3
Rotatable Bond Count:0
Tautomer Count:2
Exact Mass:196.939496
MonoIsotopic Mass:196.939496
Topological Polar Surface Area:69.7
Heavy Atom Count:11
Formal Charge:0
Complexity:220
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Donor Count:1
Feature 3D Ring Count:1
Effective Rotor Count:0
Conformer Sampling RMSD:0.4
CID Conformer Count:1

Safety and Handling

【Hazard Codes】
Xn:Harmful
【Risk Statements】
R22;R31;R36/37;R50/53;R8
【Safety Statements 】
S26;S41;S60;S61;S8
【HazardClass】
5.1
【Safety】

Safety Information of SDIC (CAS NO.2893-78-9):
Hazard Codes: O,Xn,N
Risk Statements: 8-22-31-36/37-50/53
8:? Contact with combustible material may cause fire?
22:? Harmful if swallowed
31:? Contact with acids liberates toxic gas
36:? Irritating to the eyes?
37:? Irritating to the respiratory system?
50:? Very Toxic to aquatic organisms
53:? May cause long-term adverse effects in the aquatic environment?
Safety Statements: 8-26-41-60-61
8:? Keep container dry?
26:? In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
41:? In case of fire and/or explosion do not breathe fumes?
60:? This material and/or its container must be disposed of as hazardous waste?
61:? Avoid release to the environment. Refer to special instructions safety data sheet?

【PackingGroup 】
II
【Sensitive】
Moisture Sensitive
【Cleanup Methods】
SRP: Wastewater from contaminant suppression, cleaning of protective clothing/equipment, or contaminated sites should be contained and evaluated for subject chemical or decomposition product concentrations. Concentrations shall be lower than applicable environmental discharge or disposal criteria. Alternatively, pretreatment and/or discharge to a permitted wastewater treatment facility is acceptable only after review by the governing authority and assurance that "pass through" violations will not occur. Due consideration shall be given to remediation worker exposure (inhalation, dermal and ingestion) as well as fate during treatment, transfer and disposal. If it is not practicable to manage the chemical in this fashion, it must be evaluated in accordance with EPA 40 CFR Part 261, specifically Subpart B, in order to determine the appropriate local, state and federal requirements for disposal.
If a spill occurs, clean it up promptly. Don't wash it away. Instead, sprinkle the spill with sawdust, vermiculite, or kitty litter. Sweep it into a plastic garbage bag, and dispose of it as directed on the pesticide product label.
After Applying a Pesticide, Indoors or Outdoors. To remove pesticide residues, use a bucket to rinse tools or equipment three times, including any containers or utensils that you used when mixing the pesticide. Then pour the rinsewater into the pesticide sprayer and reuse the solution by applying it according to the pesticide product label directions. After applying any pesticide wash your hands and any other parts of your body that may have come in contact with the pesticide..To prevent tracking pesticides inside, remove or rinse your boots or shoes before entering your home. Wash any clothes that have been exposed to a lot of pesticide separately from your regular wash.
【Transport】
UN 2465
【Fire Fighting Procedures】
Use water spray to cool containers exposed to fire and massive quantities of water to dilute material involved in fire or spilled from containers ... Personal protection: wear full protective clothing.
If material on fire or involved in fire: Flood with water. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. /Dichloroisocyanuric acid, dry or salts/
Evacuation: If fire becomes uncontrollable - consider evacuation of one-half (1/2) mile radius. /Dichloroisocyanuric acid, dry or salts/
【Fire Potential】
Not combustible but contact with most foreign material, organic matter, or easily chlorinated or oxidized materials may result in fire since dichloroisocyanuric acid is a highly reactive oxidizing and chlorinating agent.
【Formulations/Preparations】
Wonder Tab: Active Ingredients 18.19% Dichloro-s-triazinetrione, 66.96% Trichloro-s-triazinetrione
Kitchen Klenzer: Active Ingredient 0.8% Dichloro-s-triazinetrione
Form: liquid soluble concentrate.
ACL-59
ACL 70
CDB 60
Fi Clor 71
Hilite 60
Orced
【DOT Emergency Guidelines】
/GUIDE 140: OXIDIZERS/ Fire or Explosion: These substances will accelerate burning when involved in a fire. Some may decompose explosively when heated or involved in a fire. May explode from heat or contamination. Some will react explosively with hydrocarbons (fuels). May ignite combustibles (wood, paper, oil, clothing, etc.). Containers may explode when heated. Runoff may create fire or explosion hazard. /Dichloroisocyanuric acid, dry/
/GUIDE 140: OXIDIZERS/ Health: Inhalation, ingestion or contact (skin, eyes) with vapors or substance may cause severe injury, burns or death. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may cause pollution. /Dichloroisocyanuric acid, dry/
/GUIDE 140: OXIDIZERS/ 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 closed spaces before entering. /Dichloroisocyanuric acid, dry/
/GUIDE 140: OXIDIZERS/ 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 will only provide limited protection. /Dichloroisocyanuric acid, dry/
/GUIDE 140: OXIDIZERS/ Evacuation: Large spill: Consider initial downwind evacuation for at least 100 meters (330 feet). 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. /Dichloroisocyanuric acid, dry/
/GUIDE 140: OXIDIZERS/ Fire: Small fires: Use water. Do not use dry chemicals or foams. CO2, or Halon may provide limited control. Large fires: Flood fire area with water from a distance. Move containers from fire area if you can do it without risk. Do not move cargo or vehicle if cargo has been exposed to heat. Fight fire from maximum distance or use unmanned hose holders or monitor nozzles. Cool containers with flooding quantities of water until well after fire is out. ALWAYS stay away from tanks engulfed in fire. For massive fire, use unmanned hose holders or monitor nozzles; if this is impossible, withdraw from area and let fire burn. /Dichloroisocyanuric acid, dry/
/GUIDE 140: OXIDIZERS/ Spill or Leak: Keep combustibles (wood, paper, oil, etc.) away from spilled material. Do not touch damaged containers or spilled material unless wearing appropriate protective clothing. Stop leak if you can do it without risk. Do not get water inside containers. Small dry spills: With clean shovel place material into clean, dry container and cover loosely; move containers from spill area. Small liquid spills: Use a non-combustible material like vermiculite or sand to soak up the product and place into a container for later disposal. Large spills: Dike far ahead of liquid spill for later disposal. Following product recovery, flush area with water. /Dichloroisocyanuric acid, dry/
/GUIDE 140: OXIDIZERS/ First Aid: Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. Contaminated clothing may be a fire risk when dry. In case of contact with substance, immediately flush skin or eyes with running water for at least 20 minutes. Keep victim warm and quiet. Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves. /Dichloroisocyanuric acid, dry/
【Reactivities and Incompatibilities】
Not combustible, but contact with most foreign materials, organic matter or easily chlorinated or oxidized materials may result in fire since this substance is a highly reactive oxidizing and chlorinating agent. Contact with ammonia, ammonium salts, urea or similar compounds which contain nitrogen may form nitrogen trichloride, a highly explosive compound.
【Other Preventative Measures】
SRP: Contaminated protective clothing should be segregated in a manner that results in no direct personal contact by personnel who handle, dispose of, or clean the clothing. Quality assurance procedures to confirm the efficacy of the cleaning procedures should be implemented prior to the decontaminated protective clothing being returned for reuse by the workers. Contaminated clothing (including shoes/socks) should not be taken home at end of shift, but should remain at employee's place of work for cleaning.
SRP: The scientific literature for the use of contact lenses by industrial workers is inconsistent. The benefits 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.
If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. /Dichloroisocyanuric acid, dry or salts/
Wear special protective clothing and positive pressure self-contained breathing apparatus.
Wear the items of protective clothing the label requires: for example, non-absorbent gloves (not leather or fabric), rubber footwear (not canvas or leather), a hat, goggles, or a dust-mist filter. If no specific clothing is listed, gloves, long-sleeved shirts and long pants, and closed shoes are recommended. You can buy protective clothing and equipment at hardware stores or building supply stores.
Indoor Applications. If the label directions permit, leave all windows open and fans operating after the application is completed. If the pesticide product is only effective in an unventilated (sealed) room or house, do not stay there. Put all pets outdoors, and take yourself any your family away from treated areas for at least the length of time prescribed on the label. Apply most surface sprays only to limited areas such as cracks; don't treat entire floors, walls, or ceilings. Don't let pesticides get on any surfaces that are used for food preparation. Wash any surfaces that may have pesticide residue before placing food on them.
Outdoor Applications. Never apply pesticides outdoors on a windy day (winds higher than 10 mph). Position yourself so that a light breeze does not blow pesticide spray or dust into your face.
【Specification】

?SDIC ,its CAS NO. is 2893-78-9,the synonyms is 1,3,5-Triazine-2,4,6-(1H,3H,5H)trione,1,3-dichloro,sodiumsalt ; 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione,1,3-dichloro-,sodiumsalt ; 1-Sodium-3,5-dichloro-1,3,5-triazine-2,4,6-trione ; 3,5-Triazine-2,4,6(1H,3H,5H)-trione,1,3-dichloro-sodiumsalt ; 4,6(1H,3H,5H)-Trione,1,3-dichloro-s-triazine-sodiumsalt ; 4,6(1H,3H,5H)-Trione,dichloro-s-triazine-sodiumsalt ; Acl60 ; BasolanDC(BASF) .

【Octanol/Water Partition Coefficient】
log Kow = 1.28 (est)
【Disposal Methods】
SRP: 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.
Safe Disposal of Pesticides. The best way to dispose of small amounts of excess pesticides is to use them - apply them - according to the directions on the label. If you cannot use them, ask your neighbors whether they have a similar pest control problem and can use them. If all of the remaining pesticide cannot be properly used, check with your local solid waste management authority, environmental agency, or health department to find out whether your community has a household hazardous waste collection program or a similar program for getting rid of unwanted, leftover pesticides. These authorities can also inform you of any local requirements for pesticide waste disposal.
Safe Disposal of Pesticides. An empty pesticide container can be as hazardous as a full one because of residues left inside. Never reuse such a container. When empty, a pesticide container should be rinsed carefully three times and the rinsewater thoroughly drained back onto the sprayer or the container previously used to mix the pesticide. Use the rinsewater as a pesticide, following label directions. Replace the cap or closure securely. Dispose of the container according to label instructions. Do not puncture or burn a pressurized container like an aerosol - it could explode. Do cut or puncture other empty pesticide containers made of metal or plastic to prevent someone from reusing them. Wrap the empty container and put it in the trash after you have rinsed it.

Use and Manufacturing

【Use and Manufacturing】
Methods of Manufacturing

Produced commercially by chlorination of disodium cyanurate, prepared by reaction of cyanuric acid and caustic in a 1:2 molar ratio. Prepared by reaction of cyanuric acid with trichloroisocyanuric acid, hypochlorous acid, or chlorine dioxide. Drying fine crystalline trichloroisocyanuric acid needles isolated from concentrated aqueous sodium chloride.
U.S. Production

Production volumes for non-confidential chemicals reported under the Inventory Update Rule. Year Production Range (pounds) 1986 >10 million - 50 million 1990 No Reports 1994 No Reports 1998 No Reports 2002 No Reports
【Usage】

Sodium Dichloroisocyanurate (SDIC) widely applied for the sterilization of swimming pool and drinking water, or fighting against infectious diseases, or act as disinfectant in raising silkworm, livestock, poultry and fish. Other applications of SDIC are found in wool shrinkage, textile bleaching, and industrial circulating water cleaning. SDIC is normally supplied in powder and granular, tablets are also available on request. Stabilised chlorine granular (dichlor) are used very widely to chlorinate swimming pool water.

Biomedical Effects and Toxicity

【Pharmacological Action】
- Substances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues.
- Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.
- Substances used on inanimate objects that destroy harmful microorganisms or inhibit their activity. Disinfectants are classed as complete, destroying SPORES as well as vegetative forms of microorganisms, or incomplete, destroying only vegetative forms of the organisms. They are distinguished from ANTISEPTICS, which are local anti-infective agents used on humans and other animals. (From Hawley's Condensed Chemical Dictionary, 11th ed)

Environmental Fate and Exposure Potential

【Environmental Fate/Exposure Summary】
TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 17(SRC), determined from a structure estimation method(2), indicates that dichloroisocyanuric acid is expected to have very high mobility in soil(SRC). The pKa of dichloroisocyanuric acid is 3.75(3), indicating that this compound will exist almost entirely in the anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(4). Volatilization from moist soil is not expected because the acid exists as an anion and anions do not volatilize(SRC). Dichloroisocyanuric acid is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 2.0X10-9 mm Hg at 25 deg C(SRC), determined from a fragment constant method(5). Biodegradation data for dichloroisocyanuric acid in the terrestrial environment were not available(SRC, 2009).
AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 17(SRC), determined from a structure estimation method(2), indicates that dichloroisocyanuric acid is not expected to adsorb to suspended solids and sediment(SRC). A pKa of 3.75(3) indicates dichloroisocyanuric acid will exist almost entirely in the anion form at pH values of 5 to 9 and therefore volatilization from water surfaces is not expected to be an important fate process(4). According to a classification scheme(5), an estimated BCF of 3.3(SRC), from an estimated log Kow of 1.28(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Dichloroisocyanuric acid is expected to undergo hydrolysis in the environment since this compound contains functional groups that hydrolyze under environmental conditions(8). Biodegradation data for dichloroisocyanuric acid in the aquatic environment were not available(SRC, 2009).
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), dichloroisocyanuric acid, which has an estimated vapor pressure of 2.0X10-9 mm Hg at 25 deg C(SRC), determined from a fragment constant method(2), is expected to exist solely in the particulate phase in the ambient atmosphere. Particulate-phase dichloroisocyanuric acid may be removed from the air by wet or dry deposition(SRC). Dichloroisocyanuric acid does not contains chromophores that absorb at wavelengths >290 nm(3) and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).

Supplier Location

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