플루미클로락-펜틸

Flumiclorac-pentyl

HCID 443048CAS 87546-18-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCCCCOC(=O)COc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Cl
InChIKey: IRECWLYBCAZIJM-UHFFFAOYSA-N
분자식: C21H23ClFNO5
평균 분자량: 423.9 g/mol
단동위원소 질량: 423.12487874

개요

Flumiclorac pentyl is a pyrroline.

이름 및 식별자

우선 이름: Flumiclorac-pentyl
IUPAC: pentyl 2-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)-4-fluorophenoxy]acetate
현지명: 플루미클로락-펜틸
영어명: FLUMICLORAC-PENTYL
분자식: C21H23ClFNO5
분자량: 423.86

이름 및 동의어

Flumiclorac-pentyl87546-18-7SumiverdeResourceFlumiclorac pentylDTXSID203255467CZ8IH915Acetic acid, (2-chloro-4-fluoro-5-(1,3,4,5,6,7-hexahydro-1,3-dioxo-2H-isoindol-2-yl)phenoxy)-, pentyl esterDTXCID0012554S-23031V-23031ACETIC ACID, 2-(2-CHLORO-4-FLUORO-5-(1,3,4,5,6,7-HEXAHYDRO-1,3-DIOXO-2H-ISOINDOL-2-YL)PHENOXY)-, PENTYL ESTER

이름 더 보기

플루미클로락-펜틸pentyl-[2-chloro-5-(cyclohex-1-ene-1,2-dicarboxamido)-4-fluorophenoxy] acetateS 2303V 23031S 23031Pentyl esterFlumiclorac-pefluMiclorac-penty

pentyl 2-[2-chloro-5-(1,3-dioxo-2,3,4,5,6,7-hexahydro-1H-isoindol-2-yl)-4-fluorophenoxy]acetatepentyl 2-(2-chloro-5-(1,3-dioxo-2,3,4,5,6,7-hexahydro-1H-isoindol-2-yl)-4-fluorophenoxy)acetateRefChem:1085415618-030-3Flumiclorac-pentyl [ISO]UNII-67CZ8IH915pentyl 2-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)-4-fluorophenoxy]acetateFLUMICIORAC-PENTYL

데이터베이스 식별자

CAS: 87546-18-7
PubChem CID: 443048
DTXSID: DTXSID2032554
ChEMBL: CHEMBL1897630
ChEBI: CHEBI:5104
UNII: 67CZ8IH915
EC Number: 618-030-3
Nikkaji: J660.020D

물성

구조 계산 물성

XLogP: 4.8
극성 표면적: 72.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 9
무거운 원자 수: 29
형식 전하: 0
복잡도: 654

실험 및 물리화학적 성질

Pesticides · 4건

Herbicides

Active substance -> EU Pesticides database: Not approved

Pesticides -> Herbicides, Protox-Inhibiting

Pesticide (Flumiclorac pentyl) -> USDA PDB

LogP4.99

Collision Cross Section196.2 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID2032554]

물리화학적 성질

녹는점: 90 · 90-91℃
끓는 점: 558 · 558.0±50.0 °C(Predicted)
밀도: 20 · d20 1.3316
저장 조건: 0 · 0-6°C
산도 계수 (pKa): -2.32 · -2.32±0.20(Predicted)
EPA: Flumiclorac-pentyl (87546-18-7)

안전 및 규제

유해성 정보

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

Hazards SummaryNo evidence of reproductive, developmental, or neurological toxicity; [Reference #1] Causes changes in clotting factors in 90-day intermittent oral study of dogs; [RTECS]

독성 정보

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

RAIS Toxicity Values · 2건

OPP

EPA Human Health Benchmarks for Pesticides · 5건

Flumiclorac pentyl

6000

General Population

Human Health Benchmarks for Pesticides - 2021 Update

안전 데이터

독성: LD50 in rats (mg/kg): >5000 orally; >2000 dermally (Kamoshita)
HS 번호: 29251900

화학 및 산업

용도 및 제조

Uses · 3건

Used as post-emergence herbicide for field corn, soybeans, and non-crop areas (i.e. industrial, roadside, and public areas); [Reference #1]

Farming (Pesticides) [Category: Industry]

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

응용 분야

용도Flumiclorac-pentyl is a herbicide.

상·하류 제품 정보

상류 원료

공급사22 곳

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]

上海艾梯西生物科技有限公司18721763493

上海毕楷科技有限公司18516304666

四川库利南科技有限公司400-1166-196 18981987031 · [email protected]

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