기본 정보
- CAS
188489-07-8- 표준 SMILES
CCOC(=O)COc1cc(-n2ncc(C(F)(F)F)c(C)c2=O)c(F)cc1Cl- InChIKey
DNUAYCRATWAJQE-UHFFFAOYSA-N- 분자식
- C16H13ClF4N2O4
- 평균 분자량
- 408.73 g/mol
- 단동위원소 질량
- 408.04999746
개요
Flufenpyr-ethyl is an ethyl ester resulting from the formal condesnation of the carboxy group of flufenpyr with ethanol. It is used as a contact herbicide for the control of broad-leaved weeds. It acts as a protoporphyrinogen oxidase inhibitor, causing protoporphyrins to accumulate, damaging the membrane structure and cellular function. No longer approved for use in the European Union. It has a role as a herbicide, an agrochemical and an EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor. It is an ethyl ester, a pyridazinone, an aromatic ether, a member of monochlorobenzenes and a member of monofluorobenzenes. It is functionally related to a flufenpyr.
이름 및 식별자
- 우선 이름
- Flufenpyr-ethyl
- IUPAC
- ethyl 2-[2-chloro-4-fluoro-5-[5-methyl-6-oxo-4-(trifluoromethyl)pyridazin-1-yl]phenoxy]acetate
- 영어명
- Flufenpyr-ethyl
- 분자식
- C16H13ClF4N2O4
- 분자량
- 408.73
이름 및 동의어
Flufenpyr-ethyl188489-07-8OEE6QKB5MYDTXSID3034618Acetic acid, (2-chloro-4-fluoro-5-(5-methyl-6-oxo-4-(trifluoromethyl)-1(6H)-pyridazinyl)phenoxy)-, ethyl esterDTXCID1014618CHEBI:132056ethyl-2-chloro-5-(1,6-dihydro-5-methyl-6-oxo-4-(trifluoromethyl)pyridazin-1-yl)-4-fluorophenoxyacetateethyl {2-chloro-4-fluoro-5-[5-methyl-6-oxo-4-(trifluoromethyl)pyridazin-1(6H)-yl]phenoxy}acetateEthyl (2-chloro-4-fluoro-5-(5-methyl-6-oxo-4-(trifluoromethyl)pyridazin-1(6H)-yl)phenoxy)acetateEthyl 2-chloro-5-(1,6-dihydro-5-methyl-6-oxo-4-(trifluoromethyl)pyridazin-1-yl)-4-fluorophenoxyacetateethyl 2-chloro-5-[1,6-dihydro-5-methyl-6-oxo-4-(trifluoromethyl)pyridazin-1-yl]-4-fluorophenoxyacetate
이름 더 보기
Flufenpyr-ethyl StandardFLUFENPYL-ETHYL STANDARDFlufenpyr-ethyl in Acetoneflufenpyr-ethyl (bsi, pa iso)FLUFENPYR-ETHYL ISO 9001：2015 REACHFlufenpyr-ethyl@100 μg/mL in AcetonitrileFlufenpyr-ethyl@1000 μg/mL in Acetonitrile
RefChem:140831ethyl 2-(2-chloro-4-fluoro-5-(5-methyl-6-oxo-4-(trifluoromethyl)-1,6-dihydropyridazin-1-yl)phenoxy)acetateFlufenpyr-ethyl [ISO:BSI]UNII-OEE6QKB5MYethyl 2-[2-chloro-4-fluoro-5-[5-methyl-6-oxo-4-(trifluoromethyl)pyridazin-1-yl]phenoxy]acetateFlufenpyr-?ethylS-3153SCHEMBL39032
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 68.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 653
실험 및 물리화학적 성질
Collision Cross Section182.1 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID3034618]
물리화학적 성질
- 끓는 점
- 440.1 · 440.1±55.0 °C(Predicted)
- 밀도
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -3.03 · -3.03±0.60(Predicted)
- EPA
- Flufenpyr-ethyl (188489-07-8)
안전 및 규제
유해성 정보
Regulatory InformationFlufenpyr-ethyl is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)
독성 정보
Toxicity Summary'EP A does not have, at this time, available data to determine whether flufenpyr-ethyl has a common mechanism of toxicity with other substances.' (L2089)
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Toxicity DataLD50: > 5,000 mg/kg (acute oral, rat) (L2089); LD50: > 5,000 mg/kg (acute dermal, rat) (L2089); > 5.0 mg/L (acute inhalation, rat) (L2089)
RAIS Toxicity Values
0.4
OPP
EPA Human Health Benchmarks for Pesticides
Flufenpyr-ethyl
0.4
2000
General Population
Human Health Benchmarks for Pesticides - 2021 Update
화학 및 산업
약리 정보
Metabolism/Metabolites
Flufenpyr-ethyl's known metabolites in animals include S-3135-acid ([2-chloro-4-fluoro-5-(5-methyl-6-oxo-4-trifluoromethyl-1,6-dihydropyridazin-1-yl)phenoxy]-acetic acid) and S-3153-acid-5-CH2OH ([2-chloro-4-fluoro-5-(5-hydroxymethyl-6-oxo-4-trifluoromethyl-1,6-dihydropyridazin-1-yl)phenoxy]-acetic acid) (L2087).
용도 및 제조
UsesThis is a man-made compound that is used as a pesticide.
상·하류 제품 정보
상류 원료
공급사13 곳
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