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Allidochlor (ISO)
CDAA · cdaat · LIMIT · radox · randox · CP 6343 · 93-71-0 · rantoxt
Identifikatoren & physikalische Daten
| CAS No. | 93-71-0 |
|---|---|
| Summenformel | C8H12ClNO |
| Durchschnittliche Molmasse | 173,64 g/mol |
| Monoisotopische Masse | 173,06074168 g/mol |
| SMILES | C=CCN(CC=C)C(=O)CCl |
| InChIKey | MDBGGTQNNUOQRC-UHFFFAOYSA-N |
| PubChem CID | 7157 |
| ChEMBL | CHEMBL2251312 |
| ChEBI | CHEBI:82170 |
| EC No. | 202-270-7 |
| DTXSID | DTXSID2041591 |
| Lokaler Name | Allidochlor (ISO) |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 146 |
| SpringerMaterials Properties | Optical coefficient |
| Pestizide | Pesticides -> Herbicides, OtherPesticide (Allidochlor) -> USDA PDB |
| Dichte | 1.088 at 77 °F (NTP, 1992) - Denser than waterwill sink1.088 @ 25 °C/15.6 °C1.042 |
| Color/Form | OILY AMBER LIQUID OR GRANULES |
| Löslichkeit | Slighty soluble (NTP, 1992)Soluble in alcohol, hexane and xyleneSoluble in ethanolFAIRLY SOL IN PETROLEUM ETHER, TRICHLOROMETHANEGREATER THAN 1.97% IN CARBON DISULFIDE @ 25 °CGREATER THAN 50% IN CHLOROBENZENE, CHLOROFORM, CYCLOHEXANONE @ -50 °C50% IN ISOPROPYL ALCOHOL @ -18 °CGREATER THAN 20% IN KEROSENE OR DIESEL OIL @ 49 °CIn water, 1.97X10+4 mg/l @ 25 °C19.32g/L(25 ºC) |
| Corrosivity | CORROSIVE TO ORDINARY STEEL |
| Flammpunkt | 186 °C OC15 °C CC100 °C |
| Siedepunkt | 165 °F at 0.3 mmHg (NTP, 1992)92 °C @ 2 mm Hg242℃ |
| Decomposition | ...WHEN HEATED TO DECOMP, ... EMITS HIGHLY TOXIC FUMES OF /HYDROGEN CHLORIDE AND NITROGEN OXIDES/. |
| Schmelzpunkt | 145 °CDECOMP TEMP: 125 °C145℃ |
| Dampfdruck | 0.0094 [mmHg]9.40X10-3 mm Hg @ 20 °C |
| Brechungsindex | Index of refraction: 1.4932 @ 25 °C/DnD25 1.4932 |
| Lagerbedingungen | 0-6°C |
| pKa (Säurekonstante) | -1.13±0.70(Predicted) |
| Merck | 13,258 |
| Henry-Konstante | 9.2×101 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| CAS Datenbank | 93-71-0 |
| EPA chemische Informationen | Allidochlor (93-71-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302: Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| DOT-Kennzeichnung | Poison |
| Brandgefahren | Flash point data for this compound are not available. It is probably not flammable. (NTP, 1992) |
| Gesundheitsgefahren | SYMPTOMS: Symptoms of exposure to this compound may include severe irritation of skin and eyes, and temperature sensitivity to cold. |
| Gefahrenübersicht | A moderate skin and eye irritantHigh-dose animal studies: No adverse effects in 90-day studies of rats and dogs fed up to 200 ppmCaused skin burns in rabbitsConvulsions, coma, and liver degeneration at lethal doses[HSDB] May cause severe skin and eye irritation[CAMEO] A skin and eye irritant[eChemPortal: ESIS] |
| Reaktive Gruppe | Amides and Imides |
| Reactivity Profile | Corrosive to steel. (NTP, 1992). |
| Air and Water Reactions | Slightly water soluble. |
| Hazard Classes and Categories | Acute Tox. 4 (100%)Acute toxicity - category 4Acute Tox. 4 * |
| Skin, Eye, and Respiratory Irritations | Moderately irritating to skin and eyes |
| Hazardous Reactivities and Incompatibilities | ...ON CONTACT WITH ACIDS OR ACID FUMES, THEY EVOLVE HIGHLY TOXIC CHLORIDE FUMES. /CHLORIDES/Incompatible with alkaline and acidic formulating substances. |
| Brandbekämpfung | Fires involving this material can be controlled with a dry chemical, carbon dioxide or a Halon extinguisher. (NTP, 1992) |
| Erste Hilfe | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| Freisetung ohne Brand | SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
| 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 | HANDLE ONLY WITH ADEQUATE VENTILATION. IN CASE OF CONTACT IN EYES, FLUSH WITH WATER FOR 15 MINUTES & GET MEDICAL ATTENTION. IF SPILLED ON SKIN, WASH IMMEDIATELY WITH SOAP & WATER. |
| Isolation and Evacuation | Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]: |
| Personal Protective Equipment (PPE) | MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves.WEAR RUBBER GLOVES & GOGGLES. |
| Wechselwirkungen | WHEN COMBINED WITH TRICHLOROBENZYL CHLORIDE (TCBC), IT IS OFFERED AS A BROADER-SPECTRUM MIXT FOR WEED CONTROL IN CORN... COMBINATION, HOWEVER, DOES HAVE DISADVANTAGES OF CONSIDERABLY INCR IRRITATING PROPERTIES, /RESULTING FROM BOTH/...& PROLONGED PERSISTENCE IN SOIL...N,N-DIALLYL-2,2-DICHLOROACETAMIDE AN EFFECTIVE PROTECTANT FOR CORN AGAINST INJURY BY THIOCARBAMATE HERBICIDES. |
| Umweltverhalten | ...STUDIES USING CO2 TRAIN SHOWED (14)CO2 LIBERATION FROM SOIL TREATED WITH EITHER (14)C-CARBONYL- OR (14)C-ALLYL-LABELED CDAA /N,N-DIALLYLCHLOROACETAMIDE/. AMT GENERATED REPRESENTED APPROX 20% OF TOTAL (14)CO2 TRAPPED. THUS SOME DECOMP...OCCURS IN SOIL.DISSIPATION STUDIES IN SOIL USING CHEM ANAL FOR DETERMINATION...INDICATED RAPID LOSS OF PARENT COMPD. T/2 WAS ESTIMATED TO BE APPROX 16-18 DAYS & WAS FAIRLY REPRESENTATIVE OVER BROAD RANGE OF SOIL TYPES & CLIMATIC CONDITIONS. SOME...LOSS WOULD BE ATTRIBUTABLE TO VOLATILITY...TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 230(SRC), determined from a structure estimation method(2), indicates that Randox is expected to have moderate mobility in soil(SRC). Volatilization of Randox from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 1.07X10-7 atm-cu m/mole(SRC), derived from its vapor pressure, 9.40X10-3 mm Hg(4), and water solubility, 1.97X10+4 mg/l(3). Randox is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 9.40X10-3 mm Hg(4). Biodegradation may be important as one study found 100% degradation in 3 months in soil(5).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 230(SRC), determined from an estimation method(2), indicates that Randox is expected to adsorb moderately to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 1.07X10-7 atm-cu m/mole(SRC), derived from its vapor pressure, 9.40X10-3 mm Hg(8), and water solubility, 1.97X10+4 mg/l(4). According to a classification scheme(5), an estimated BCF of 5(SRC), from an estimated log Kow of 1.79(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low. Biodegradation may be important as one study found 100% degradation in 3 months in soil(9).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), Randox, which has a vapor pressure of 9.40X10-3 mm Hg at 20 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase Randox 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 5 hrs(SRC), calculated from its rate constant of 7.55X10-11 cu cm/molecule-sec at 25 °C(3) determined using a structure estimation method(3). |
| Unerwünschte Wirkungen | Neurotoxin - Other CNS neurotoxin |
| Soil Adsorption/Mobility | ADSORPTION /IN BASIC SOIL IS/ DIRECTLY PROP TO COLLOID CONTENT OF SOIL.Duration of /chemical/ activity 3-6 weeks, depending on soil.Using a structure estimation method based on molecular connectivity indices(1), the Koc for Randox can be estimated to be 230(SRC). According to a classification scheme(2), this estimated Koc value suggests that Randox is expected to have moderate mobility in soil. |
| Human Toxicity Excerpts | ...HERBICIDE APPLIED IN FULL STRENGTH TO SKIN CAUSES SEVERE IRRITATION AND TEMPORARY SENSITIVITY TO COLD (FOR 4-6 HR)... UNDILUTED MATERIAL IN THE EYE HAS PRODUCED SERIOUS OCULAR DAMAGE.NATURE OF TOXIC SYNDROME AFTER ORAL ADMIN HAS NOT BEEN DESCRIBED. |
| Artificial Pollution Sources | Randox's former production and use(3) as a selective pre-planting or pre-emergence herbicide(1) resulted in its direct release to the environment through various waste streams(SRC). The material is believed to be no longer manufactured, or marketed for crop protection use(2). |
| Environmental Biodegradation | MICROBIAL BREAKDOWN /IS/ RESPONSIBLE FOR MAJOR DECOMP.AEROBIC: Randox degraded to innocuous levels in soil in 3 months using 8 California soils treated with concentrations of Randox ranging from 2.5 to 160 ppm(1). |
| Sediment/Soil Concentrations | SOIL: In 1989, Randox was not detected in soil on 12 farms in the Fraser Valley, British Columbia(1). |
| Environmental Bioconcentration | An estimated BCF of 5 was calculated for Randox(SRC), using an estimated log Kow of 1.79(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low. |
| Volatilization from Water/Soil | ...IN ABSENCE OF ADSORPTIVE FORCES, 4 LB/ACRE VOLATILIZES IN LESS THAN 8 HR AT 7 °C OR ABOVE.The Henry's Law constant for Randox is estimated as 1.07X10-7 atm-cu m/mole(SRC), derived from its vapor pressure, 9.40X10-3 mm Hg(1), and water solubility, 1.97X10+4 mg/l(2). This Henry's Law constant indicates that Randox is expected to be essentially nonvolatile from water surfaces(3). Randox's estimated Henry's Law constant(1,2) indicates that volatilization from moist soil surfaces will not occur(SRC). Randox is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 9.40X10-3 mm Hg(1). |
| Non-Human Toxicity Excerpts | MALE & FEMALE RATS--30 DAY DIET INCL 10% CDAA CORN OIL SOLN WITH DOSAGE OF 70 MG/KG DAILY--NO SIGNIFICANT GROWTH EFFECTS AFTER 30 DAYS. PATHOLOGICAL EXAM SHOWED EXCESSIVE PRODN OF MUCUS &...HYPEREMIA OF GASTRIC MUCOSA...HYPEREMIA OF WALLS OF SMALL INTESTINES, &...EXCESSIVE EPITHELIAL DETRIS IN CONVOLUTED TUBULES OF KIDNEY.ORAL 90-DAY RAT & DOG INGESTED @ 20, 62, & 200 PPM REVEALED NO STATISTICAL ADVERSE EFFECTS DURING A STUDY OF 8 PARAMETERS. APPLICATION TO INTACT RABBIT SKIN RESULTED IN IRRITATION CONSISTING OF SEVERE ERYTHEMA & EDEMA WITH BLISTERING & SUBCUTANEOUS DAMAGE. VAPORS ARE MODERATELY IRRITATING. OUTWARD TOXICITY SYMPTOMS IN RATS SHOWED EXCESSIVE SALIVATION, DISCOMFORT, COMA, & CONVULSIONS. DIARRHEA OCCURRED IN ANIMALS SURVIVING 12-36 HR. LIVER DEGENERATION OCCURRED.APPLICATION TO INTACT RABBIT SKIN RESULTED IN IRRITATION CONSISTING OF SEVERE ERYTHEMA & EDEMA WITH BLISTERING & SUBCUTANEOUS DAMAGE. VAPORS ARE MODERATELY IRRITATING.OUTWARD TOXICITY SYMPTOMS IN RATS SHOWED EXCESSIVE SALIVATION, DISCOMFORT, COMA, & CONVULSIONS. DIARRHEA OCCURRED IN ANIMALS SURVIVING 12-36 HR. LIVER DEGENERATION OCCURRED. |
| Environmental Abiotic Degradation | HYDROLYSIS IS SECONDARY...TO MICROBIAL BREAKDOWN...RESPONSIBLE FOR DECOMP.The rate constant for the vapor-phase reaction of Randox with photochemically-produced hydroxyl radicals has been estimated as 7.55X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 5 hours(SRC) at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 2902 |
| Zollcode | 29241990 |
| RTECS-Nr. | AB5250000 |
| R-Sätze (R) | 21/22-36/38-51/53 |
| Toxizität | LD50 orally in rats: 700 mg/kg (Bailey, White) |
| Gefahrensymbole | Xn,N |
| Sicherheitshinweise (S) | 26-28-36/37/39-61 |
| Gefahrenklasse | 6.1(b) |
| Verpackungsgruppe | III |
| Gefahrstoffdaten | 93-71-0(Hazardous Substances Data) |
Anwendungen & Verwendung
Verwenden
Pre-emergent herbicide.