Triasulfuron

HCID 73282

기본 정보

CAS
82097-50-5
표준 SMILES
COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2OCCCl)n1
InChIKey
XOPFESVZMSQIKC-UHFFFAOYSA-N
분자식
C14H16ClN5O5S
평균 분자량
401.8 g/mol
단동위원소 질량
401.0560675

개요

Triasulfuron is an N-sulfonylurea that is N-[o-(2-chloroethoxy)phenyl]sulfonylurea in which one of the hydrogens attached to the non-sulfonylated nitrogen has been replaced by a 4-methoxy-6-methyl-1,3,5-triazin-2-yl group. A herbicide used to control broad-leaved weeds in cereals, its use within the EU has been banned after September 2017 on the grounds of potential groundwater contamination and risks to aquatic life. It has a role as a herbicide and an agrochemical. It is an organochlorine compound, a methoxy-1,3,5-triazine and a N-sulfonylurea.

이름 및 식별자

우선 이름
Triasulfuron
IUPAC
1-[2-(2-chloroethoxy)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
영어명
Triasulfuron
분자식
C14H16ClN5O5S
분자량
401.83

이름 및 동의어

Triasulfuron82097-50-5LogranCGA 131036EPA Pesticide Chemical Code 128969DTXSID00243451-[2-(2-chloroethoxy)phenyl]sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)ureaCGA-131036299LHF498M2-(2-Chloroethoxy)-N-(((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)benzenesulfonamideCHEBI:9673DTXCID204345
이름 더 보기
AMBER(R)LOGRAN(R)TRISULFURONTRIASULPHURONTriasulfuron 075%TriasulfuronBiotin Impurity 46
1-(2-(2-Chloroethoxy)phenylsulfonyl)-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea (IUPAC)Benzenesulfonamide, 2-(2-chloroethoxy)-N-(((4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino)carbonyl)-1-(2-(2-CHLOROETHOXY)PHENYLSULFONYL)-3-(4-METHOXY-6-METHYL-1,3,5-TRIAZIN-2-YL)UREA1-[2-(2-chloroethoxy)phenylsulfonyl]-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea2-(2-chloroethoxy)-N-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]benzenesulfonamide1-(2-(2-chloroethoxy)phenyl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)ureaRefChem:1908641-(2-(2-chloroethoxy)benzenesulfonyl)-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea

데이터베이스 식별자

CAS
82097-50-5
PubChem CID
73282
DTXSID
DTXSID0024345
ChEMBL
CHEMBL1896787
ChEBI
CHEBI:9673
UNII
299LHF498M
EC Number
617-298-9
Nikkaji
J407.003H

물성

구조 계산 물성

XLogP
2.3
극성 표면적
141 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
8
회전 가능 결합 수
7
무거운 원자 수
26

실험 및 물리화학적 성질

Pesticides · 6건

Pesticide -> EPA IRIS

Herbicides

Active substance -> EU Pesticides database: Not approved

Environmental transformation -> Pesticides (parent, predecessor)

Pesticide (Triasulfuron) -> USDA PDB

Pesticide

LogP · 2건

log Kow = 1.1 (pH 5.0), -0.59 (pH 6.9), -1.8 (pH 9.0) at 25 °C

2.04

Density1.5 g/cu cm
Color/FormFine white powder
Solubility · 3건

In water, 1.5 g/L (pH 7) at 20 °C

In water, 32 mg/L (pH 5), 815 mg/L (pH 7), 13,500 mg/L (pH 8.2) at 25 °C

Solubility (g/L at 25 °C): Acetone 14, dichloromethane 36, ethyl acetate 4.3); Solubility (mg/L at 25 °C): ethanol 420, n-octanol 130, n-hexane 0.04, toluene 300

DecompositionHazardous decomposition products formed under fire conditions: Carbon oxides, nitrogen oxides (NOx), sulfur oxides, hydrogen chloride gas.

물리화학적 성질

녹는점
178 °C · 178°C
끓는 점
150 · 150-260 °C
밀도
1.5218 · 1.5218 (rough estimate)
증기압
0 Pa · 0Pa at 25℃
굴절률
1.563 · 1.5630 (estimate)
저장 조건
0 · 0-6°C

안전 및 규제

GHS 분류

GHS Classification · 6건

Warning

H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Warning

H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory Information · 4건

Commission Regulation (EU) No 1141/2010

Triasulfuron is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)

00/66/EC, 2010/77/EU, Reg (EU) 2015/408, Reg. (EU) 2015/1885, Reg. (EU) 2016/864, Reg. (EU) No 540/2011

REACH registered substance: Triasulfuron (EC: 617-298-9)

FIFRA RequirementsTolerances are established for residues of the herbicide triasulfuron [3-(6-methoxy-4-methyl-1,3,5-triazin-2-yl)-1-(2-(2-chloroethoxy)phenylsulfonyl)urea] in or on the following raw agricultural commodities:[Table#8503]
Hazard Classes and Categories · 3건

Aquatic Acute 1 (100%)

Hazardous to the aquatic environment (acute) - category 1

Aquatic Acute 1

Hazardous Reactivities and IncompatibilitiesIncompatible materials: Strong oxidizing agents

안전 및 보호

Fire Fighting Procedures · 2건

Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.

Advice for firefighters: Wear self-contained breathing apparatus for firefighting if necessary.

Storage ConditionsKeep container tightly closed in a dry and well-ventilated place.
Cleanup Methods · 1건

ACCIDENTAL RELEASE MEASURES: Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. Environmental precautions: Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. Methods and materials for containment and cleaning up: Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed containers for disposal.

Disposal Methods · 2건

SRP: 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 air, soil or water; effects on animal, aquatic and plant life; and conformance with environmental and public health regulations. If it is possible or reasonable use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination.

Product: Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed professional waste disposal service to dispose of this material. Contaminated packaging: Dispose of as unused product.

Preventive Measures · 5건

ACCIDENTAL RELEASE MEASURES: Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. Environmental precautions: Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided.

Precautions for safe handling: Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Provide appropriate exhaust ventilation at places where dust is formed.

Appropriate engineering controls: Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

Gloves must be inspected prior to use. Use proper glove removal technique (without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands.

SRP: Local exhaust ventilation should be applied wherever there is an incidence of point source emissions or dispersion of regulated contaminants in the work area. Ventilation control of the contaminant as close to its point of generation is both the most economical and safest method to minimize personnel exposure to airborne contaminants. Ensure that the local ventilation moves the contaminant away from the worker.

Allowable TolerancesTolerances are established for residues of the herbicide triasulfuron [3-(6-methoxy-4-methyl-1,3,5-triazin-2-yl)-1-(2-(2-chloroethoxy)phenylsulfonyl)urea] in or on the following raw agricultural commodities:[Table#8502]

독성 정보

Body BurdenTriasulfuron geometric mean concentrations in urine for the US population from years 2003-2008 were below the detection limit of 0.07 ug/L(1).
Target OrgansHepatic
Ecotoxicity Values · 5건

LC50; Species: Colinus virginianus (Northern Bobwhite Quail) age 14 days; diet >5000 ppm for 8 days /94.5% purity/

LC50; Species: Anas platyrhynchos (Mallard Duck) diet >5000 ppm for 8 days /94.5% purity/

LD50; Species: Anas platyrhynchos (Mallard Duck) oral via capsule >2150 mg/kg /94.5% purity/

LD50; Species: Colinus virginianus (Northern Bobwhite Quail) age 175 days; oral via capsule >2150 mg/kg /94.5% purity/

For more Ecotoxicity Values (Complete) data for Triasulfuron (17 total), please visit the HSDB record page.

Environmental Fate · 4건

TERRESTRIAL FATE: Based on a classification scheme(1), measured Koc ranges of 7-25(2) and 51.6-190.6(3) in a variety of soils, indicate that triasulfuron is expected to have very high to moderate mobility in soil(SRC). The pKa of triasulfuron is 4.64(4), indicating that this compound will exist partially in anion form at pH 5 and almost entirely in the anion form at pH 7-9 in the environment(SRC) and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(5). Some studies indicate adsorption in soil can be effected by humic acids and pH(6,7) while other studies found that adsorption of triasulfuron was not pH dependent(8). Volatilization of non-ionized triasulfuron from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of <2.5X10-10 atm-cu m/mole(SRC), derived from its vapor pressure, <1.5X10-8 mm Hg(4), and water solubility, 32-13500 mg/L at pH5-8.2(4). Triasulfuron in anion form will not volatilize. Triasulfuron is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(SRC). Triasulfuron did not volatilize from soil or plant surfaces during photolytic degradation tests(2). Triasulfuron was found to be not readily biodegradable in sediment-water degradation studies with biodegradation half-lives ranging from 30-245 days(2). Measured half-lives of triasulfuron in microbially active soils (pH 6.5 or 7.2) were found to be four times faster than those in sterile soil(9). Triasulfuron is susceptible to aqueous hydrolysis in moist acidic soils; hydrolysis half-life is about 30 days at pH 5 and 20 °C(3). Triasulfuron absorbs at wavelengths >290 nm(3) and is susceptible to direct photolysis by sunlight on soil surfaces(2). Reported half-lives in field dissipation studies ranged from 3-48 days (mean of 19 days), 8-59 days and 10-87 days(8). and 10-87 days(3).

FIELD STUDY: Herbicides are essential in agricultural systems for maintaining crop yields, as weeds compromise grain production. Furthermore, the application of organic amendments to soil is an increasingly frequent agricultural practice for avoiding irreversible soil degradation. However, this practice could modify the behaviour of the herbicides applied, with implications for their absorption by weeds. This study evaluated the dissipation, persistence and mobility of the herbicides triasulfuron and prosulfocarb in a sandy clay loam soil unamended and amended with green compost (GC) in a field experiment using single or combined commercial formulations of both herbicides. The study was carried out in experimental plots (eight treatments x three replicates) corresponding to unamended soil and soil amended with GC, untreated and treated with the herbicide formulations Logran Tr, Auros Tr and Auros Plus Tr over 100 days. The half-life (DT50) of triasulfuron applied individually was 19.4 days, and increased in the GC-amended soil (46.7 days) due to its higher adsorption by this soil, although non-significant differences between DT50 values were found when it was applied in combination with prosulfocarb. Prosulfocarb dissipated faster than triasulfuron under all the conditions assayed, but non-significant differences were observed for the different treatments. The analysis of the herbicides at different soil depths (0-50 cm) after their application confirmed the leaching of both herbicides to deeper soil layers under all conditions, although larger amounts of residues were found in the 0-10 and 10-20 cm layers. The application of GC to the soil increased the persistence of both herbicides, and prevented the rapid leaching of triasulfuron in the soil, but the leaching of prosulfocarb was not inhibited. The influence of single or combined formulations was observed for triasulfuron, but not for prosulfocarb. The results obtained highlight the interest of obtaining field data to design rational joint applications of GC and herbicides to prevent the possible decrease in their effectiveness for weeds or the risk of water contamination.

AQUATIC FATE: Based on a classification scheme(1), measured Koc ranges of 7-25(2) and 51.6-190.6(3) indicate that triasulfuron is not expected to adsorb to suspended solids and sediment(SRC). A pKa of 4.64(4) indicates this compound will exist partially in anion form at pH 5 and almost entirely in the anion form at pH 7-9 in the environment(SRC), and volatilization of the anion form from water surfaces is not expected to be an important fate process(SRC). Volatilization from water surfaces is also not expected of the non-ionized form(3) based upon an estimated Henry's Law constant of <2.5X10-10 atm-cu m/mole(SRC), derived from its vapor pressure, <1.5X10-8 mm Hg(4), and water solubility, 32-13500 mg/L at pH5-8.2(4). According to a classification scheme(5), an estimated BCF of 1(SRC), from its log Kow of 1.10(4) and a regression-derived equation(6), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Triasulfuron was found to be not readily biodegradable in sediment-water degradation studies with biodegradation half-lives ranging from 30-245 days(2). The USDA Pesticide Properties Database lists the hydrolysis rate of triasulfuron as "Stable" at pH 7-9 (20 °C) and 0.023/day (half-life of 30 days) at pH 5 (20 °C)(3). Hydrolysis half-lives at 25 °C were 7.78 days (pH 4), 13.8 days (pH 5), 27.1 days (pH 6), 492 days (pH 7) and 387 days (pH 9)(7). Triasulfuron absorbs at wavelengths >290 nm(2) and, therefore, may be susceptible to direct photolysis by sunlight(SRC). At 10 ppm in aqueous solution at 20 °C, triasulfuron had a 3 hour photo-stability half-life when irradiated with a mercury vapor lamp(2).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), triasulfuron, which has a vapor pressure of <1.5X10-8 mm Hg at 25 °C(2), is expected to exist solely in the particulate phase in the ambient atmosphere. Particulate-phase triasulfuron may be removed from the air by wet and dry deposition(SRC). Triasulfuron absorbs at wavelengths >290 nm(3) and, therefore, may be susceptible to direct photolysis by sunlight(SRC). Triasulfuron photodegrades in aqueous solution exposed to sunlight(4).

Toxicity Summary · 1건

IDENTIFICATION AND USE: Triasulfuron is a fine white powder. it is used as a selective herbicide pre- and post-emergence for the control of annual broad-leaved weeds in wheat, barley, and triticale. HUMAN STUDIES: There are no data available. ANIMAL STUDIES: In rats fed triasulfuron for 90 days reduced body weight and kidney toxicity observed at 10,000 ppm. In mice fed triasulfuron for 2 years, centrilobular hepatocytomegaly was observed in male mice receiving 1000, 5000, and 10,000 ppm and in females receiving 10,000 ppm. Increased centrilobular degeneration, focal accumulation of inflammatory cells, microgranulomas, and pigment depositions were also observed in the liver of 10,000-ppm males. In dogs, fed triasulfuron in the diet for 1 year, effects seen at 5000 ppm include liver vacuolization, Kupffer cell pigment, lymphoid hyperplasia, anemia, increased relative spleen, kidney (females), pituitary (females), and liver weights, and increased severity of prostate cystic hyperplasia in males. In developmental study in rats, reductions in body weight were noted in F1a and F2a pups. No developmental effects were observed in rabbits. The genotoxicity of trisulfuron was demonstrated in the wing spot test of Drosophila melanogaster. ECOTOXICITY STUDIES: For aquatic organisms triasulfuron photoproducts were less toxic than the parent compound.

Ecotoxicity Excerpts · 2건

/AQUATIC SPECIES/ The present study aimed to compare the sensitivity of larvae of the gilthead seabream (Sparus aurata), a valuable fish species of the Spanish South Atlantic littoral, with the extensively used Microtox test on a commercial herbicide formulation containing terbutryn (59.4%) and triasulfuron (0.6%). To this purpose, mortality displayed by endogenous feeding S. aurata larvae exposed during 72 hr post-hatching to nominal concentrations of the commercial formulation and bioluminescence of the marine bacterium Vibrio fischeri were compared. Histomorphological changes were also studied. Clearly, the S. aurata assay was the more sensitive indicator of toxicity for this herbicide. The 72-hr concentration lethal to 50% of the individuals (LC(50)) found for yolk sac larvae was 1.41 mg/L. This value was more than one order of magnitude below the 15-min EC(50) found for V. fischeri (15.94 mg/L). Growth of the larvae was not significantly affected by a terbutryn-triasulfuron mixture at concentrations up to 1.56 mg/L, the maximum at which there was some proportion of survival.

/AQUATIC SPECIES/ The toxicological effects of the sulfonylurea herbicide triasulfuron and its photoproducts were assessed on four aquatic organisms. Toxicity varied with tested organism and with triasulfuron irradiation time. Triasulfuron and its photoproducts had no significant effects on the crustacean (Cladocera) Daphnia magna (causing 50% effective concentration [EC50] [48 hr] = 49 +/- 1 mg/L) and the marine bacteria Vibrio fischeri (EC50 [30 min] > 100 mg/L). In contrast, primary producers (the duckweed Lemna minor, the microalgae Pseudokirchneriella subcapitata, and Chlorella vulgaris) were very sensitive to triasulfuron (EC50s < 11 microg/L). For these organisms, triasulfuron photoproducts were less toxic than the parent compound but the residual toxicity observed still represented a potential environmental hazard.

규제 정보

FIFRA RequirementsTolerances are established for residues of the herbicide triasulfuron [3-(6-methoxy-4-methyl-1,3,5-triazin-2-yl)-1-(2-(2-chloroethoxy)phenylsulfonyl)urea] in or on the following raw agricultural commodities:[Table#8503]

안전 데이터

wgk
2
rtecs
DB1554000
ridadr
UN3077 9/PG 3
독성
LD50 in rats (mg/kg): >5000 orally; >2000 dermally; LC50 (4 hr) in rats: >5185 mg/m3 by inhalation (Amrein, Gerber)
HS 번호
29350090
risk_code
50/53

화학 및 산업

약리 정보

Metabolism/Metabolites · 1건

Cytochrome P450 monooxygenases play paramount roles in the detoxification of herbicides as well as in the synthesis of lignins, flavonoids, and phenolic acids. Biochemical analysis of triasulfuron metabolism in maize (Zea mays) seedlings has demonstrated that the P450(s) responsible for detoxification of this herbicide is induced by naphthalic anhydride (NA), a plant safener, and by triasulfuron, the herbicide itself. Induction studies conducted with seedlings of different ages suggest that two separate response pathways modulate this P-450 activity. Induction by NA is independent of the developmental age of the seedlings up to 6.5 d; induction by triasulfuron is tightly modulated with respect to developmental age in that triasulfuron metabolism can be induced by triasulfuron in young (2.5 d) but not older (6.5 d) seedlings. Induction by NA administered in combination with triasulfuron synergistically enhances triasulfuron metabolism in younger seedlings to levels substantially above that obtained with either herbicide or safener treatment alone. In older seedlings, NA plus triasulfuron treatment induces triasulfuron metabolism to only the level of NA treatment alone, indicating again that the induction cascade responding to triasulfuron is nonfunctional in later development. MnCl2 studies indicate that the triasulfuron insensitivity of older seedlings does not result from a general limitation in the inducibility of this P-450 detoxification system but rather from specific limitations in the triasulfuron-response pathway.

MeSH Pharmacological ClassificationPesticides used to destroy unwanted vegetation, especially various types of weeds, grasses (POACEAE), and woody plants. Some plants develop HERBICIDE RESISTANCE.

용도 및 제조

Uses · 4건

For triasulfuron (USEPA/OPP Pesticide Code: 128969) ACTIVE products with label matches. /SRP: Registered for use in the USA but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./

... Selective herbicide used pre- and post-emergence for the control of annual broad-leaved weeds in wheat, barley, and triticale.

Herbicide

This is a man-made compound that is used as a pesticide.

U.S. ProductionNon-confidential 2016 Chemical Data Reporting (CDR) information on the production and use of chemicals manufactured or imported into the United States. Chemical: Triasulfuron; National Aggregate Production Volume: 51,252 pounds (2011).
Methods of Manufacturing · 2건

Triasulfuron is produced by reaction of 2- chloroethoxyphenylsulfamoyl chloride with 2- amino-4-methoxy-6-methyl-1,3,5-triazine.

Preparation: W. Meyer, W. Fory, European Patent Office patent 44808; eidem, United States of America patent 4514212 (1982, 1985 both to Ciba-Geigy)

Formulations/Preparations · 5건

Triasulfuron Technical (Syntenta Crop Protection, LLC): Active ingredient: triasulfuron 92.0%.

Custom-Pak Amber Herbicide (Syntenta Crop Protection, LLC): Active ingredient: triasulfuron 75.0%.

Rave Herbicide (Syntenta Crop Protection, LLC): Active ingredient: dicamba, sodium salt 55.0% and triasulfuron 8.8%.

Wettable powders.

For more Formulations/Preparations (Complete) data for Triasulfuron (6 total), please visit the HSDB record page.

Use ClassificationEnvironmental transformation -> Pesticides (parent, predecessor)
General Manufacturing InformationRegistration Notes: Outside USA: Sold commercially in Europe.

응용 분야

용도Herbicide.

상·하류 제품 정보

공급사71 곳

陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Qingdao Trust Agri Chemical Co.,Ltd+86-008615963231493 +86-008613573296305 · [email protected]
추가 설명 · 1건

정의ChEBI: An N-sulfonylurea that is N-[o-(2-chloroethoxy)phenyl]sulfonylurea in which one of the hydrogens attached to the non-sulfonylated nitrogen has been replaced by a 4-methoxy-6-methyl-1,3,5-triazin-2-yl group A herbicide used to control broad-leaved weeds in cereals, its use within the EU has been banned after September 2017 on the grounds of potential groundwater contamination and risks to aquatic life.

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