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Name:	Chlorfenapyr
CAS No:	122453-73-0

PRODUCT DESCRIPTION

【Name】: Chlorfenapyr

【Iupac name】: 4-bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)pyrrole-
3-carbonitrile

【CAS Registry number】: 122453-73-0

【Synonyms】: 4-Bromo-2-(p-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)pyrrole-3-carbonitrile
AC 303630
CL 303630
4-bromo-2-(4-chlorophenyl)-1-ethoxymethyl-5-trifluoromethyl-1H-pyrrole-3-carbonitrile
Intrepid

【Molecular Formula】: C₁₅H₁₁BrClF₃N₂O (Products with the same molecular formula)

【Molecular Weight】: 407.62

【Inchi】: InChI=1/C15H11BrClF3N2O/c1-2-23-8-22-13(9-3-5-10(17)6-4-9)11(7-21)12(16)14(22)15(18,19)20/h3-6H,2,8H2,1H3

【InChIKey】: CWFOCCVIPCEQCK-UHFFFAOYSA-N

【Canonical SMILES】: CCOCN1C(=C(C(=C1C(F)(F)F)Br)C#N)C2=CC=C(C=C2)Cl

【MOL File】
122453-73-0.mol

Chemical and Physical Properties

【Appearance】: off-white to light brown powder with an halide odor

【Density】: 1.53 g/cm³

【Melting Point】: 100.5

【Boiling Point】: 443.5 °C at 760 mmHg

【Vapour】: 4.6E-08mmHg at 25°C

【Refractive Index】: 1.559

【Flash Point】: 222 °C

【Solubilities】: 0.12 mg/L

【Color/Form】: Light tan or light yellow powdered solid
White solid

【Storage temp】: 0-6°C

【Computed Properties】: Molecular Weight:407.61285 [g/mol]
Molecular Formula:C₁₅H₁₁BrClF₃N₂O
XLogP3-AA:4.5
H-Bond Donor:0
H-Bond Acceptor:5
Rotatable Bond Count:4
Exact Mass:405.969538
MonoIsotopic Mass:405.969538
Topological Polar Surface Area:38
Heavy Atom Count:23
Formal Charge:0
Complexity:448
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:2
Feature 3D Cation Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:2
Effective Rotor Count:5
Conformer Sampling RMSD:0.8
CID Conformer Count:4

Safety and Handling

【Hazard Codes】: T:Toxic

【Risk Statements】: R22;R23;R50/53

【Safety Statements 】: S13;S36/37;S45;S60;S61

【Safety】

A poison by ingestion. Moderately toxic by inhalation. Questionable carcinogen with experimental data reported. When heated to decomposition it emits toxic vapors of NO_x, F^?, and Cl^?.

Hazard Codes:?? Toxic T,? Dangerous N
Risk Statements: 22-23-50/53
?R22:Harmful if swallowed.?
R23 :Toxic by inhalation.?
R50/53:Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements:?13-36/37-45-60-61?
S13:Keep away from food, drink and animal foodstuffs.?
S36/37:Wear suitable protective clothing and gloves.?
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)?
S60:This material and its container must be disposed of as hazardous waste.?
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR:?UN 2811

【Skin, Eye, and Respiratory Irritations】: Chlorfenapyr is a moderate but reversible eye irritant, but not a skin irritant.

【Cleanup Methods】: 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 2811

【Fire Fighting Procedures】: Use water, alcohol foam, dry chemical, or carbon dioxide to extinguish fires.

【Formulations/Preparations】: Trade names include Alert, Citrex, Intrepid, Phantom, Pirate, Stalker, and Sunfire.
Trade Name: Pylon Miticide-Insecticide 21.4% chlorfenapyr
Suspension concentrate.

【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. /Poisonous solid, organic, NOS; Toxic solid, organic, NOS (Chlorfenapyr)/
/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. /Poisonous solid, organic, NOS; Toxic solid, organic, NOS (Chlorfenapyr)/
/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. /Poisonous solid, organic, NOS; Toxic solid, organic, NOS (Chlorfenapyr)/
/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. /Poisonous solid, organic, NOS; Toxic solid, organic, NOS (Chlorfenapyr)/
/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. /Poisonous solid, organic, NOS; Toxic solid, organic, NOS (Chlorfenapyr)/
/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. /Poisonous solid, organic, NOS; Toxic solid, organic, NOS (Chlorfenapyr)/
/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. /Poisonous solid, organic, NOS; Toxic solid, organic, NOS (Chlorfenapyr)/
/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. /Poisonous solid, organic, NOS; Toxic solid, organic, NOS (Chlorfenapyr)/

【Other Preventative Measures】: Do not get in eyes, on skin, or clothing. Avoid breathing vapor or mist. Harmful if inhaled. Wash thoroughly after handling with soap and water.
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.
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.

【Protective Equipment and Clothing】: Chlorfenapyr is a moderate but reversible eye irritant, but not a skin irritant.

【Specification】: ?Chlorfenapyr , its cas register number is 122453-73-0. It also can be called 4-Bromo-2-(4-chlorophenyl)-1-(ethoxymethyl)-5-(trifluoromethyl)-1H-pyrrol-3-carbonitrile ; Alert ; Sunfire ; Citrex ; Intrepid ; 4-bromo-2-(4-chlorophenyl)-1-ethoxymethyl-5-trifluoromethylpyrrole-3-carbonitrile ; 4-bromo-2-(4-chlorophenyl)-1-ethoxymethyl-5-trifluoromethyl-1H-pyrrole-3-carbonitrile ,and so on. It is usually off-white to light brown powder with an halide odor.

【Octanol/Water Partition Coefficient】: log Kow = 4.83

【Disposal Methods】: SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.
Do not contaminate water, food, or feed by disposal.
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

【Usage】: This material is used as an insecticide.

Biomedical Effects and Toxicity

【Biomedical Effects and Toxicity】: An oral dose of chlorfenapyr was poorly absorbed in rats and over 80% was eliminated in the feces ...
Radioactive chlorfenapyr was administered to rats by oral gavage at dose levels of 20 mg/kg/day as a single dose or following a 14-day pre-treatment with non-radioactive chlorfenapyr, or at 200 mg/kg as a single dose. Based on the metabolites identified, the major deposition route of orally administered chlorfenapyr is fecal excretion of unaltered parent compound. The two rings of the molecule are not cleaved. Metabolites are excreted primarily in urine; accumulation in tissues is minimal.

Environmental Fate and Exposure Potential

【Environmental Fate/Exposure Summary】: TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 10,000(SRC), determined from a log Kow of 4.83(2) and a regression-derived equation(3), indicates that chlorfenapyr is expected to be immobile in soil(SRC). Volatilization of chlorfenapyr from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 5.7X10-9 atm-cu m/mole(SRC), using a fragment constant estimation method(4). Chlorfenapyr is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 7.4X10-8 mm Hg(SRC), determined from a fragment constant method(5). A biodegradation half-life range of 230-250 days in soil(6) suggest that biodegradation is not an important environmental fate process in soil(SRC).
AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 10,000(SRC), determined from a log Kow of 4.83(2) and a regression-derived equation(3), indicates that chlorfenapyr is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 5.7X10-9 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). BCFs of 83-114 given for bluegill sunfish(5), suggest the potential for bioconcentration in aquatic organisms is moderate to high(SRC). Photolysis is expected to be the principal fate of chlorfenapyr in water(5). A biodegradation half-life of 250 days in sediment(5) suggest that biodegradation is not an important environmental fate process in water(SRC).
ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), chlorfenapyr, which has an estimated vapor pressure of 7.4X10-8 mm Hg at 25 deg C(SRC), determined from a fragment constant method(2), will exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase chlorfenapyr is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 1.2 days(SRC), calculated from its rate constant of 1.4X10-11 cu cm/molecule-sec at 25 deg C(SRC) that was derived using a structure estimation method(3). Particulate-phase chlorfenapyr may be removed from the air by wet or dry deposition(SRC). Chlorfenapyr photodegrades in sterile fresh water with a half-life of 5-7 days(4), suggesting that photolysis in air may be important(SRC).

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