Halauxifen-methyl

HCID 16656802CAS 943831-98-9

기본 정보

표준 SMILES: COC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc(N)c1Cl
InChIKey: KDHKOPYYWOHESS-UHFFFAOYSA-N
분자식: C14H11Cl2FN2O3
평균 분자량: 345.1 g/mol
단동위원소 질량: 344.01307579

개요

Halauxifen-methyl is a methyl ester resulting from the formal condensation of the carboxy group of halauxifen with methanol. It is a proherbicide used for the control of broad-leaved weeds in cereals and oilseed rape. It has a role as a proherbicide and a synthetic auxin. It is a monomethoxybenzene, a methyl ester, an aminopyridine, a chloropyridine, a biaryl, a member of monochlorobenzenes and a member of monofluorobenzenes. It is functionally related to a halauxifen.

이름 및 식별자

우선 이름: Halauxifen-methyl
IUPAC: methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate
영어명: Halauxifen-methyl
분자식: C14H11Cl2FN2O3
분자량: 345.15

이름 및 동의어

Halauxifen-methyl943831-98-9ArylexHalauxifen-methyl [ISO]methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylateArylex ActiveUNII-81N578K12381N578K123methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)picolinateMethyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinecarboxylate4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid methyl esterHalauxifen methyl

이름 더 보기

Halauxifen-methyl in AcetonitrileHalauxifen-methyl 100 μg/ml AcetonitrileHalauxifen-methyl, 100 μg/mL in Acetonitrile

2-Pyridinecarboxylic acid, 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-, methyl esterArylex; Arylex active; Halauxifen-methyl; XDE 729PixxaroQuelexhalauxiphen-methylSCHEMBL115368SCHEMBL29423657SCHEMBL29442558

데이터베이스 식별자

CAS: 943831-98-9
PubChem CID: 16656802
DTXSID: DTXSID50241446
ChEBI: CHEBI:143513
UNII: 81N578K123
EC Number: 695-056-1
Nikkaji: J3.337.973K

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 74.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 4
무거운 원자 수: 22
형식 전하: 0
복잡도: 404

실험 및 물리화학적 성질

Pesticides · 3건

Agrochemicals -> Pesticide active substances

Active substance -> EU Pesticides database: Approved

Herbicides

물리화학적 성질

끓는 점: 513.2 · 513.2±50.0 °C(Predicted)
밀도: 1.436 · 1.436±0.06 g/cm3(Predicted)
용해도: 아세톤(약간 용해됨), 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa): 2.4 · 2.40±0.25(Predicted)
물리적 상태: 고체
색상: 흰색에서 밝은 노란색
Henry's Law Constant: 8.1 · 8.1×105 mol/(m3Pa) at 25℃, Maniere et al. (2011)
LogP: 2.95 · 2.950 (est)
EPA: 2 · 2-Pyridinecarboxylic acid, 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-, methyl ester (943831-98-9)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H400 (68.9%): 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)

Aggregated GHS information provided per 103 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Regulation (EC) No 1107/2009 (amended)

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

Reg. (EU) 2015/1165, Reg. (EU) No 540/2011

Hazard Classes and CategoriesAquatic Acute 1 (68.9%)

독성 정보

RAIS Toxicity Values · 2건

0.03

OPP

EPA Human Health Benchmarks for Pesticides · 5건

Halauxifen-methyl

0.03

200

General Population

Human Health Benchmarks for Pesticides - 2021 Update

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H410

화학 및 산업

용도 및 제조

Use ClassificationHerbicides

공급사27 곳

聊城市鑫耀达新材料有限公司15065415681 15065415681 · [email protected]

江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]

陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]

广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]

苏州泽厚生物科技有限公司0512-68716880 19984816880 · [email protected]

연결된 노트

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