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Chlorthion
oms217 · OMS 217 · B-22190 · bay22190 · ent18,861 · BAY 22190 · Chlortion · Chlothion
Identifikatoren & physikalische Daten
| CAS No. | 500-28-7 |
|---|---|
| Summenformel | C8H9ClNO5PS |
| Durchschnittliche Molmasse | 297,65 g/mol |
| Monoisotopische Masse | 296,9627583 g/mol |
| SMILES | COP(=S)(OC)Oc1ccc([N+](=O)[O-])c(Cl)c1 |
| InChIKey | NZNRRXXETLSZRO-UHFFFAOYSA-N |
| PubChem CID | 10372 |
| ChEMBL | CHEMBL160606 |
| ChEBI | CHEBI:167184 |
| EC No. | 207-902-5 |
| DTXSID | DTXSID9041784 |
| Lokaler Name | Chlorthion |
Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 106 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 318 |
| LogP (Verteilungskoeffizient) | log Kow= 3.45 |
| Dichte | 1.437 @ 20 °C/4 °Cd420 1.437 |
| Color/Form | Pure compound is yellow crystals. ... Commercial product is a yellow oil. |
| Löslichkeit | Miscible in benzene, alcohol, etherMISCIBLE IN AROMATIC SOLVENTSSOL 1:25,000 IN WATERREADILY MISCIBLE IN TOLUENE & OILIn water @ 20 °C, 40 mg/lreadily sol in common organic solvents with the exception of mineral oilsIn water, 40 mg/l at 20 °CChloroform (Slightly), Methanol (Slightly)40mg/L(20 ºC) |
| Corrosivity | Noncorrosive |
| Siedepunkt | 136 °C @ 0.23 mm HgYELLOW OILBP: 125 °C @ 0.1 MM HG /COMMERCIAL PRODUCT/BP: 136 °C @ 0.3 mbar112 °C @ 0.05 mbarbp0.1 125° |
| Schmelzpunkt | 21 °C21° |
| Dampfdruck | 0.000004 [mmHg]4X10-6 mm Hg @ 20 °C |
| Brechungsindex | Index of refraction: 1.5661 @ 20 °C/DnD20 1.5661 |
| Physical Description | Yellow solidCommercial substance is yellow liquid[HSDB] Yellow solidmp = 21 deg C[MSDSonline] |
| Stability/Shelf Life | Hydrolyzed by alkali |
| Kovats Retention Index | 1945196419911982.41956.91980.9 |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | liquid |
| BRN | 2292513 |
| Henry-Konstante | 2.5×102 mol/(m3Pa) at 25℃, HSDB (2015) |
| Hauptanwendungen | agricultureenvironmental |
| InChI | 1S/C8H9ClNO5PS/c1-13-16(17,14-2)15-6-3-4-8(10(11)12)7(9)5-6/h3-5H,1-2H3 |
| InChIKey | NZNRRXXETLSZRO-UHFFFAOYSA-N |
| SMILES | COP(=S)(OC)Oc1ccc(c(Cl)c1)[N+]([O-])=O |
| EPA chemische Informationen | Chlorthion (500-28-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302: Harmful if swallowed [Warning Acute toxicity, oral]H312: Harmful in contact with skin [Warning Acute toxicity, dermal]H332: Harmful if inhaled [Warning Acute toxicity, inhalation]H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P391, and P501 (click each P-code to see the statement) |
|---|---|
| Brandpotenzial | NOT FLAMMABLE @ NORMAL TEMPTHERMAL DECOMPOSITION POINT ABOUT 150 °C |
| Gefahrenübersicht | A cholinesterase inhibitor[HSDB] The average of two baseline respective cholinesterase activity determinations three days apart, with no exposures to enzyme inhibiting pesticides for at least 30 days, is recommended for each worker prior to exposure to cholinesterase inhibitors because of large inter-individual differences in published baseline values. To be established at least once a year. Removal from workplace exposures is recommended until the cholinesterase activity returns to within 20% of baseline. [TLVs and BEIs] |
| Special Reports | Toxicology Review- Residue Reviews 63, 1, 1976 |
| Hazard Classes and Categories | Acute Tox. 4 (97.6%)Acute Tox. 4 (100%)Aquatic Acute 1 (100%)Aquatic Chronic 1 (100%)Acute toxicity - category 4Hazardous to the aquatic environment (acute) - category 1Hazardous to the aquatic environment (chronic) - category 1Acute Tox. 4 *Aquatic Chronic 1 |
| Explosive Limits and Potential | CHLOROTHION (SELF-REACTIVE): WHEN SAMPLE WAS HEATED IN SMALL TEST TUBE IT DECOMPOSED & IN A FEW MIN RESIDUE EXPLODED. |
| Expositionsschutz und Persönliche Schutzausrüstung | Biological Exposure Indices (BEI) [ACGIH] - Acetylcholinesterase activity in red blood cells = 70% of individual's baselineButylcholinesterase activity in serum or plasma = 60% of individual's baselineSample at end of shift[TLVs and BEIs] |
| Lagerbedingungen | ...MUST BE STORED IN ITS SEALED ORIGINAL CONTAINERS, IN WELL-AIRED, FRESH & DRY STOREHOUSES OR IN SHADED & POSSIBLY WELL-AIRED PLACES. IT IS RECOMMENDED THAT THE PRODUCT'S TEMP...NOT EXCEED 25-30 °C, & KEEP...AWAY FROM SOURCES OF HEAT, FREE FLAMES OR SPARK-GENERATING EQUIPMENT. CONTAINERS MUST BE STACKED IN SUCH A WAY AS TO PERMIT FREE CIRCULATION OF AIR...AT BOTTOM & INSIDE OF PILES. STORAGE AREAS MUST BE LOCATED AT SUITABLE DISTANCE FROM INHABITED BUILDINGS, ANIMAL SHELTERS, & FOOD STORESMOREOVER, THEY MUST BE INACCESSIBLE TO UNAUTHORIZED PERSONS, CHILDREN, & DOMESTIC ANIMALS. /PROTHOATE/ |
| Entsorgungsverfahren | 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. |
| Preventive Measures | ANY MATERIAL SPILLED ON SKIN SHOULD BE IMMEDIATELY REMOVED WITH SOAP & WATER. WHEN SPRAYING & DUSTING...CONTAMINATED CLOTHING SHOULD BE CHANGED FREQUENTLY. /ORGANOPHOSPHORUS PESTICIDES/CONTAINERS ... SHOULD BE CLEANED WITH A SUSPENSION OF BLEACHING POWDER IN WATER OR WITH OTHER ALKALINE SOLN AFTER SOAKING FOR 24 HR AND THEN BE RINSED WITH HOT WATER. /ORGANOPHOSPHORUS PESTICIDES/THE STRICT OBSERVANCE OF HYGIENE RULES- NO SMOKING AND NO FOOD INTAKE DURING WORK, THOROUGH WASHING WITH SOAP AFTER WORK, CHANGING PROTECTIVE CLOTHING BEFORE GOING HOME- IS OF THE UTMOST IMPORTANCE. /ORGANOPHOSPHORUS PESTICIDES/THE PROTECTIVE CLOTHING SHOULD BE KEPT IN SEPARATE PLACES WHERE IT CANNOT BE CONTAMINATED WITH TOXIC CHEMICALS. IT SHOULD BE FORBIDDEN TO KEEP THIS CLOTHING IN LIVING QUARTERS. PROTECTIVE CLOTHING MUST BE WASHED AT LEAST ONCE A WEEK AND EACH TIME IT IS CONTAMINATED WITH PESTICIDES. BEFORE WASHING THE CLOTHING SHOULD BE SOAKED FOR SEVERAL HOURS IN A CALCIUM CARBONATE SOLUTION. /PESTICIDES/ |
| Personal Protective Equipment (PPE) | USE OF RUBBER GLOVES, GOGGLES, RESPIRATOR &...PROTECTIVE CLOTHING. /ORGANOPHOSPHORUS PESTICIDES/WORKERS HANDLING AND APPLYING ORGANOPHOSPHORUS PESTICIDES ... MUST BE GIVEN PERSONAL PROTECTIVE EQUIPMENT COMPRISING OVERALLS MADE OF A TIGHT FABRIC OR POLYVINYL CHLORIDE, GLOVES AND RUBBER BOOTS. THEY MUST WEAR A RESPIRATOR WITH AN ACTIVATED-CARBON GAS FILTER CARTRIDGE AFFORDING PROTECTION FOR A DETERMINED NUMBER OF WORKING HOURS. THE EYES SHOULD BE PROTECTED BY GOGGLES. ... /ORGANOPHOSPHORUS PESTICIDES/ |
| Umweltverhalten | .../SOME ORGANOPHOSPHORUS INSECTICIDES/...BREAK DOWN INTO TOXIC COMPONENTS & ACCUM, PROBABLY AS RESULT OF AGING, WEATHERING, PLANT ALTERATION OR OTHER DEGRADATION. /ORGANOPHOSPHORUS INSECTICIDES/TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 1800(SRC), determined from a log Kow of 3.45(2) and a regression-derived equation(3), indicates that chlorthion is expected to have low mobility in soil(SRC). Volatilization of chlorthion from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 4.0X10-8 atm-cu m/mole(SRC), derived from its vapor pressure, 4X10-6 mm Hg(4), and water solubility, 40 mg/l(5). Chlorthion is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 4X10-6 mm Hg(4).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 1800(SRC), determined from a log Kow of 3.45(2) and a regression-derived equation(3), indicates that chlorthion is expected to adsorb to suspended solids and sediment in water(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 4.0X10-8 atm-cu m/mole(SRC), derived from its vapor pressure, 4X10-6 mm Hg(7), and water solubility, 40 mg/l(4). According to a classification scheme(5), a measured BCF of 29(6), suggests the potential for bioconcentration in aquatic organisms is low.ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), chlorthion, which has a vapor pressure of 4X10-6 mm Hg at 20 °C(2), will exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase chlorthion 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 7 hrs(SRC), calculated from its rate constant of 5.9X10-11 cu cm/molecule-sec at 25 °C(3) determined using a structure estimation method(3). Particulate-phase chlorthion may be removed from the air by wet and dry deposition(SRC). |
| Unerwünschte Wirkungen | Other Poison - Organophosphate |
| Medical Surveillance | Workers handling & applying pesticides must undergo an annual medical examination at the beginning of each agricultural season. /SRP: Protect from exposure those individuals with/ organic diseases of the central nervous system, mental disorders & epilepsy, pronounced endocrine & vegetative disorders, pulmonary tuberculosis, bronchial asthma, chronic respiratory diseases, cardiovascular diseases & circulatory disorders, gastrointestinal diseases (peptic ulcer), gastroenterocolitis, diseases of liver & kidneys, eye diseases (chronic conjunctivitis & keratitis). The blood cholinesterase activity must be determined before work starts. In the event of prolonged work periods, this activity should be determined at intervals of 3-4 days. Persons exhibiting a fall in cholinesterase activity of 25% or more must be transferred to other work where they are not exposed to organophosphorus pesticides until this activity is completely restored. Persons with initial signs of indisposition should cease work with pesticides. /Organophosphorus pesticides/ |
| Soil Adsorption/Mobility | The Koc of chlorthion is estimated as 1800(SRC), using a log Kow of 3.45(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that chlorthion is expected to have low mobility in soil. |
| Human Toxicity Excerpts | A CHOLINESTERASE INHIBITOR. SYMPTOMS SIMILAR TO PARATHION.SYMPTOMATOLOGY: 1. NAUSEA...VOMITING, ABDOMINAL CRAMPS, DIARRHEA, EXCESSIVE SALIVATION... 2. HEADACHE, GIDDINESS, VERTIGO & WEAKNESS. 3. RHINORRHEA & SENSATION OF TIGHTNESS IN CHEST ARE COMMON IN INHALATION EXPOSURE. 4. BLURRING OR DIMNESS OF VISION, MIOSIS... TEARING, CILIARY MUSCLE SPASM, LOSS OF ACCOMMODATION & OCULAR PAIN... MYDRIASIS...SOMETIMES SEEN...PROBABLY DUE TO SYMPATHO-ADRENAL DISCHARGE. 5. LOSS OF MUSCLE COORDINATION, SLURRING OF SPEECH, FASCICULATIONS & TWITCHING OF MUSCLES (PARTICULARLY OF TONGUE & EYELIDS), & GENERALIZED PROFOUND WEAKNESS. 6. MENTAL CONFUSION, DISORIENTATION & DROWSINESS. /PARATHION/SYMPTOMATOLOGY: 7. DIFFICULTY IN BREATHING, EXCESSIVE SECRETION OF SALIVA & OF RESP TRACT MUCUS, ORONASAL FROTHING, CYANOSIS, PULMONARY RALES & RHONCHI & HYPERTENSION, (PRESUMABLY DUE TO ASPHYXIA). 8. RANDOM JERKY MOVEMENTS, INCONTINENCE, CONVULSIONS, & COMA. 9. DEATH PRIMARILY DUE TO RESP ARREST ARISING FROM FAILURE OF RESP CENTER, PARALYSIS OF RESP MUSCLES, INTENSE BRONCHOCONSTRICTION OR ALL THREE. /PARATHION/TOXICITY IS LOW, IN SPITE OF HIGH ANTICHOLINESTERASE POTENCY (A DISTINCTION ASCRIBED TO SLOW TISSUE ABSORPTION).Toxic by inhalation & ingestion. |
| Artificial Pollution Sources | Chlorthion's production and former use as an insecticide(1) may have resulted in its direct release to the environment(SRC). Chlorthion is not a registered pesticide product in the US(2). |
| Environmental Bioconcentration | A BCF of 29(1) was measured in pond snails. According to a classification scheme(2), this BCF suggests the potential for bioconcentration of chlorthion in aquatic organisms is low. |
| Volatilization from Water/Soil | The Henry's Law constant for chlorthion is estimated as 4.0X10-8 atm-cu m/mole(SRC), derived from its vapor pressure, 4X10-6 mm Hg(1), and water solubility, 40 mg/l(2). This Henry's Law constant indicates that chlorthion is expected to be essentially nonvolatile from water surfaces(3). Chlorthion's estimated Henry's Law constant(1,2) indicates that volatilization from moist soil surfaces will not occur(SRC). Chlorthion is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 4X10-6 mm Hg(1). |
| Non-Human Toxicity Excerpts | ...CHLORTHION HAS RELATIVELY HIGH PERCUTANEOUS TOXICITY FOR DOGS. SINGLE DIPPING IN 0.5% 'EMULSIFIABLE SOLN'...WAS FATAL IN SOME CASESREPEATED IMMERSION @ 4-DAY INTERVALS...ATTENDED BY SYMPTOMS OF TOXICITY. DOGS SUBJECTED TO TWO DIPPINGS IN 2% SOLN DIED 36 HR AFTER SECOND IMMERSION.LETHAL ORAL DOSE IN MOST SUSCEPTIBLE ANIMAL...BABY CALF, WAS 50 MG/KG (23 MG/LB). CALVES WERE UNAFFECTED BY 25 MG/KG & ADULT CATTLE BY 50 MG/KG. SUBACUTE TOXICITY STUDIES INDICATE THAT DAILY IP DOSES OF 100 MG/KG (45 MG/LB) FOR APPROX 60 DAYS ARE REQUIRED TO REACH LD50 FOR RATS. DAILY ADMIN OF 50 MG/KG (23 MG/LB) BY SAME ROUTE WAS WITHOUT EFFECT.LETHAL AMOUNTS OF ORGANOPHOSPHATES CAUSE DEATH BY A COMBINATION OF EFFECTS OF MUSCARINIC, NICOTINIC, & CENTRAL CHOLINERGIC OVERSTIMULATION &/OR RECEPTOR PARALYSIS. THUS HYPOTENSION, BRADYCARDIA, BRONCHOCONSTRICTION & BRONCHIAL FLUID ACCUM, INABILITY OF TONICALLY RIGID (OR FLACCID-PARALYTIC) RESP MUSCLES TO WORK PROPERLY, CYANOSIS & CENTRAL RESP DEPRESSION ARE MANIFESTED. ANIMAL DIES OF ASPHYXIA. FROM THIS IT WOULD SEEM THAT ORGANOPHOSPHATES SHOULD BE CLASSIFIED UNDER POISONS CAUSING...SIGNS OF RESP INSUFFICIENCY. ... IN PRACTICE, HOWEVER, THE OUTSTANDING CLINICAL SIGNS SEEN IN HERD OUTBREAKS & IN AMBULATORY ANIMALS ARE GENERALLY THOSE OF BEHAVIORAL, MOTOR, & MUSCLE STIMULATION. /ORGANOPHOSPHATE PESTICIDES/SIGNS OF MUSCARINIC CHOLINERGIC OVERSTIMULATION INCLUDE PROFUSE SALIVATIONLACRIMATIONSEROUS OR SEROMUCOUS NASAL DISCHARGEINCREASED RESPIRATORY SOUNDS...COLIC, & DIARRHEA...PUPIL CONSTRICTION, SWEATING, COUGHINGVOMITING...FREQUENT URINATION. ... CENTRAL NERVOUS SIGNS...INCLUDE...ANXIETY, RESTLESSNESS, & HYPERACTIVITY... /ORGANOPHOSPHATE PESTICIDES/For more Non-Human Toxicity Excerpts (Complete) data for CHLOROTHION (6 total), please visit the HSDB record page. |
| Environmental Abiotic Degradation | The rate constant for the vapor-phase reaction of chlorthion with photochemically-produced hydroxyl radicals has been estimated as 5.9X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 7 hours (SRC) at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). Chlorthion was found to undergo hydrolysis at 20, 30, 40, 50, and 60 °C with a half-life of 138, 36, 10, 3, and 1 days, respectively(2). Stability also decreases with extremes of pH(2). |
| Probable Routes of Human Exposure | Occupational exposure to chlorthion may have occurred through dermal contact with this compound at workplaces where chlorthion was produced or used. (SRC) |
| Environmental Fate/Exposure Summary | Chlorthion's production and former use as an insecticide may have resulted in its direct release to the environment. If released to air, a vapor pressure of 4X10-6 mm Hg at 20 °C indicates chlorthion will exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase chlorthion will be degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicalsthe half-life for this reaction in air is estimated to be 7 hrs. Particulate-phase chlorthion will be removed from the atmosphere by wet and dry deposition. If released to soil, chlorthion is expected to have low mobility based upon an estimated Koc of 1800. Volatilization from moist soil surfaces is not expected to be an important fate process based upon an estimated Henry's Law constant of 4.0X10-8 atm-cu m/mole. Chlorthion will not volatilize from dry soil surfaces based upon its vapor pressure. Chlorthion hydrolysis half-lives range from 138 to 1 days at temperatures from 10 to 60 °C. If released into water, chlorthion is expected to adsorb to suspended solids and sediment in water based upon the estimated Koc. Volatilization from water surfaces is not expected to be an important fate process based upon this compound's estimated Henry's Law constant. A BCF of 29 suggests bioconcentration in aquatic organisms is low. Chlorthion hydrolysis half-lives range from 138 to 1 days at temperatures from 10 to 60 °C. Occupational exposure to chlorthion may have occured through dermal contact with this compound at workplaces where chlorthion was produced or used. (SRC) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN2811 6.1/PG 3 |
| RTECS-Nr. | TE8050000 |
| R-Sätze (R) | 20/21/22-50/53 |
| Toxizität | LD50 in male, female rats (mg/kg): 880, 980 orally (Gaines) |
| Gefahrensymbole | Xn,N |
| Sicherheitshinweise (S) | 13-60-61 |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Gefahrstoffdaten | 500-28-7(Hazardous Substances Data) |
| Gefahrenklasse | Acute Tox. 3 OralAcute Tox. 4 DermalAcute Tox. 4 InhalationAquatic Acute 1Aquatic Chronic 1 |
Anwendungen & Verwendung
Verwenden
Insecticide.