キザロホップ標準品

Quizalofop

HCID 178795CAS 76578-12-6

基本情報

標準SMILES: CC(Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)O
InChIKey: ABOOPXYCKNFDNJ-UHFFFAOYSA-N
分子式: C17H13ClN2O4
平均分子量: 344.7 g/mol
単同位体質量: 344.05638458

概要

2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid is a monocarboxylic acid that is 2-phenoxypropanoic acid in which the phenyl group is substituted at the para position by a (6-chloroquinoxalin-2-yl)oxy group. It is a monocarboxylic acid, an aromatic ether, an organochlorine compound and a quinoxaline derivative.

名称と識別子

優先名称: Quizalofop
IUPAC: 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid
現地名: キザロホップ標準品
英語名: QUIZALOFOP
分子式: C17H13ClN2O4
分子量: 344.75

名称と別名

Quizalofop76578-12-6XylafopPropanoic acid, 2-(4-((6-chloro-2-quinoxalinyl)oxy)phenoxy)-DTXSID60273935137F325077(RS)-2-(4-(6-Chloroquinoxalin-2-yloxy)phenoxy)propionic acid(+-)-2-(4-(6-Chloro-2-quinoxalinyloxy)phenoxy)propanoic acidPropanoic acid, 2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]-RefChem:872085CHEBI:81943DTXCID70196424

名称をさらに表示

キザロホップ標準品CS_MET-13174A-50MG_キザロホップキザロホップPILOTTARGAASSUREQuizalofop free acidQUIZALOFOP, 50MG, NEATQuizalofop, 10 mM in DMSOC16739990 Quizalofop (freEacid)Quizalofop 100 μg/ml Acetonitrile

616-350-8Quizalofop (free acid)2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acidQuizalofop [BSI:ISO]CCRIS 9407as sur-UNII-137F325077

データベース識別子

CAS: 76578-12-6
PubChem CID: 178795
DTXSID: DTXSID60273935
ChEMBL: CHEMBL51789
ChEBI: CHEBI:137509
UNII: 137F325077
EC Number: 616-350-8
Nikkaji: J367.069D

物性

構造計算による物性

XLogP: 3.6
極性表面積: 81.5 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: 5
重原子数: 24
形式電荷: 0
複雑度: 431

実験および物理化学的性質

Pesticides · 4 件

Herbicides

Active substance -> EU Pesticides database: Not approved

Environmental transformation -> Pesticide transformation products (metabolite, successor)

Pesticide (Quizalofop) -> USDA PDB

物理化学的性質

沸点: 533.3 · 533.3±50.0 °C(Predicted)
比重(密度): 1.409 · 1.409
貯蔵温度: 0 · 0-6°C
溶解性: Chloroform (Slightly), DMSO (Slightly)
酸解離定数(Pka): 3.11 · 3.11±0.10(Predicted)
外見: Solid
色: Off-White to Pale Yellow

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.

Not Classified

Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 3 件

Regulation (EC) No 396/2005 (amended)

2002/2076

Quizalofop: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

DOT Hazard Classification · 2 件

Quizalofop

Severe marine pollutant

Hazard Classes and CategoriesNot Classified

安全データ

ridadr: UN3077 9/PG 3
safety_code: 22-24/25

化学と産業

薬理情報

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

用途と製造

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

上流・下流製品情報

下流製品

システムに該当なし

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