ハロウキシフェンメチル

Halauxifen-methyl

HCID 16656802CAS 943831-98-9

基本情報

標準SMILES: COC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)cc(N)c1Cl
InChIKey: KDHKOPYYWOHESS-UHFFFAOYSA-N
分子式: C14H11Cl2FN2O3
平均分子量: 345.1 g/mol
単同位体質量: 344.01307579

概要

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.

名称と識別子

優先名称: Halauxifen-methyl
IUPAC: methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylate
現地名: ハロウキシフェンメチル
英語名: Halauxifen-methyl
分子式: C14H11Cl2FN2O3
分子量: 345.15

名称と別名

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

名称をさらに表示

ハロウキシフェンメチルハラウキシフェンメチルメチル 4-アミノ-3-クロロ-6-(4-クロロ-2-フルオロ-3-メトキシフェニル)ピリジン-2-カルボキシラート4-アミノ-3-クロロ-6-(4-クロロ-2-フルオロ-3-メトキシフェニル)ピリジン-2-カルボン酸メチル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

データベース識別子

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

物性

構造計算による物性

XLogP: 3.3
極性表面積: 74.4 Å²
水素結合供与体数: 1
水素結合受容体数: 6
回転可能結合数: 4
重原子数: 22
形式電荷: 0
複雑度: 404

実験および物理化学的性質

Pesticides · 3 件

Agrochemicals -> Pesticide active substances

Active substance -> EU Pesticides database: Approved

Herbicides

物理化学的性質

沸点: 513.2 · 513.2±50.0 °C(Predicted)
比重(密度): 1.436 · 1.436±0.06 g/cm3(Predicted)
溶解性: Acetone (Slightly), Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
酸解離定数(Pka): 2.4 · 2.40±0.25(Predicted)
外見: Solid
色: White to Light Yellow
Henry's Law Constant: 8.1 · 8.1×105 mol/(m3Pa) at 25℃, Maniere et al. (2011)
LogP: 2.95 · 2.950 (est)
EPAの化学物質情報: 2 · 2-Pyridinecarboxylic acid, 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-, methyl ester (943831-98-9)

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 3 件

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%)

毒性情報

RAIS Toxicity Values · 2 件

0.03

OPP

EPA Human Health Benchmarks for Pesticides · 5 件

Halauxifen-methyl

0.03

200

General Population

Human Health Benchmarks for Pesticides - 2021 Update

安全データ

危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H410

化学と産業

用途と製造

Use ClassificationHerbicides

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