Imazaquin (HCID 54739)

概要

2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]quinoline-3-carboxylic acid is a quinolinemonocarboxylic acid that is quinoline-3-carboxylic acid which is substituted by a 4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl group at position 2. It is an imidazolone, a monocarboxylic acid and a quinolinemonocarboxylic acid.

名称と識別子

優先名称: Imazaquin
IUPAC: 2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic acid
現地名: 2-(5-イソプロピル-5-メチル-4-オキソ-2-イミダゾリン-2-イル)-3-キノリンカルボン酸
英語名: Imazaquin acid
分子式: C17H17N3O3
分子量: 311.34

名称と別名

IMAZAQUIN81335-37-7Scepter HerbicideImazaquineScepterDTXSID3024152AC 2522148LZY7C31XA2-(5-Isopropyl-5-methyl-4-oxo-2-imidazolin-2-yl)-3-quinolinecarboxylic acid3-Quinolinecarboxylic acid, 2-(4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-2-(4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-3-quinolinecarboxylic acidIMAGE (PESTICIDE)

名称をさらに表示

2-[[4,5-ジヒドロ-4-メチル-4-(1-メチルエチル)-5-オキソ-3H-イミダゾール]-2-イル]-3-キノリンカルボン酸イマザキンセプター2-(5-イソプロピル-5-メチル-4-オキソ-2-イミダゾリン-2-イル)-3-キノリンカルボン酸２－（４，５－ジヒドロ－４－メチル－４－（１－メチルエチル）－５－オキソ－１Ｈ－イミダゾール－２－イル）－３－キノリンカルボン酸イマザキン標準品CS_N-12204-100MG_イマザキンイマザキン STANDARDイマザキン Standard, 100 µg/mL in MeOH2-[5-メチル-4-オキソ-5-(プロパン-2-イル)-4,5-ジヒドロ-1H-イミダゾール-2-イル]キノリン-3-カルボン酸Imageac252214CL 252214ac252,214SCEPTER(R)Brn 5450078imazaquin acid

2-(4-isopropyl-4-methyl-5-oxo-1H-imidazol-2-yl)quinoline-3-carboxylic acidCHEBI:5869DTXCID9041522-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)quinoline-3-carboxylic acid2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1h-imidazol-2-yl]-3-quinolinecarboxylic acid3-Quinolinecarboxylic acid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-RefChem:923327617-220-3

データベース識別子

CAS: 81335-37-7
PubChem CID: 54739
DTXSID: DTXSID3024152
ChEMBL: CHEMBL1447880
ChEBI: CHEBI:147361
UNII: 8LZY7C31XA
EC Number: 617-220-3
Nikkaji: J364.773K

物性

構造計算による物性

XLogP: 2.5
極性表面積: 91.7 Å²
水素結合供与体数: 2
水素結合受容体数: 5
回転可能結合数: 3
重原子数: 23
形式電荷: 0
複雑度: 545

実験および物理化学的性質

Pesticides · 6 件

Pesticide -> EPA IRIS

Plant Growth Regulators

Active substance -> EU Pesticides database: Not approved

Pesticides -> Herbicides, Imidazolinone

Herbicides, Plant growth regulators

Pesticide (Imazaquin) -> USDA PDB

OdorSlightly pungent

Color/Form · 3 件

Colorless solid

Tan solid

Crystals from hexane + ethyl acetate

Solubility · 3 件

Sol in water /Imazaquin ammonium salt/

Slightly soluble in some organic solvents.

Sol in water @ 25 °C: 60-120 ppm

Melting Point219-222 °C (decomposition)

Vapor Pressure<0.013 mPa @ 60 °C

物理化学的性質

融点: 219 · 219-224°C
沸点: 451.38 °C · 451.38°C (rough estimate)
比重(密度): 1.142 · 1.1420 (rough estimate)
屈折率: 1.65 · 1.6500 (estimate)
貯蔵温度: 0 · 0-6°C
酸解離定数(Pka): 3.1 · 3.10±0.30(Predicted)
BRN: 5450078 · 5450078
Henry's Law Constant: 2.7 · 2.7×1011 mol/(m3Pa) at 25℃, Maniere et al. (2011)
主な用途: 農業環境
InChI: 1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)
InChIKey: CABMTIJINOIHOD-UHFFFAOYSA-N
SMILES: CC(C)C1(C)N=C(NC1=O)c2nc3ccccc3cc2C(O)=O
CAS データベース: 81335 · 81335-37-7(CAS DataBase Reference)
EPAの化学物質情報: Imazaquin (81335-37-7)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H312 (22.1%): Harmful in contact with skin [Warning Acute toxicity, dermal]

P273, P280, P302+P352, P317, P321, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 190 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Commission Regulation (EC) No 1490/2002

2008/69, 2008/69, Reg. (EU) 2022/801, Reg. (EU) No 1100/2011, Reg. (EU) No 1100/2011, Reg. (EU) No 540/2011, Reg. (EU) No 540/2011

Hazards Summary · 1 件

Weight loss, mild anemia, and skeletal muscle myopathy observed in chronic study of dogs; No developmental toxicity observed in rats or rabbits; No adverse effects in reproduction during multi-generational study of rats; No evidence of carcinogenicity, mutagenicity, or neurotoxicity; [Reference #1] Not irritating to rabbit skin or eyes; Not sensitizing to guinea pig skin; In 1-year feeding study of dogs at the highest tested dose (5,000 ppm), caused mild anemia, significantly elevated liver enzymes, and striated muscle myopathy with corresponding increase in blood CPK levels; Decreased body weight was the only treatment related effect in two year feeding studies of rats and mice; Increase in frequency and severity of pelvic calcification of the kidneys observed in high-dose multi-generational rat study; No evidence of mutagenicity, carcinogenicity, reproductive toxicity, or developmental toxicity; [EFSA]

Hazard Classes and CategoriesAcute Tox. 4 (22.1%)

安全と保護具

Preventive MeasuresAvoid contact with skin, eyes, and clothing. Wash thoroughly with soap and water after handling.

毒性情報

Target OrgansHematologic

Ecotoxicity Values · 4 件

LC50 Ictaluras punctatus (Channel catfish) 320 mg/l/96 hr /Conditions of bioassay not specified/

LC50 Lepomis macrochirus (Bluegill) 410 mg/l/96 hr /Conditions of bioassay not specified/

LC50 Salmo gairdneri (Rainbow trout) 280 mg/l/96 hr /Conditions of bioassay not specified/

LC50 Daphnia 280 mg/l/48 hr /Conditions of bioassay not specified/

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.

EPA IRIS Information · 3 件

Imazaquin

Hematologic

2.5 x 10 ^-1 mg/kg-day

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

Non-Human Toxicity ExcerptsIn 2 yr feeding trials, no effect level for rats was 5000 mg/kg.

安全データ

wgk: 2
rtecs: VB2009800
毒性: LD50 orally in rats: 5000 mg/kg; LC50 (96 hr) in rainbow trout: 100 mg/l (Congleton)
risk_code: 21
hazard_code: Xn
safety_code: 36
Hazard Classifications: Acute Tox. 4 Dermal
ストレージクラス: 11 - Combustible Solids
有毒物質データの: 81335-37-7(Hazardous Substances Data)

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.

Absorption, Distribution and ExcretionFollowing oral administration, almost all was excreted in the urine as the unchanged compound within 2 days. No accumulation in blood or tissues.

用途と製造

Uses · 6 件

Used as pre and post-emergence herbicide for soybeans, ornamentals, and turf; [Reference #1] Used in the EU in combination with chlormequat chloride (CAS# 999-81-5) as plant growth regulator for winter wheat and winter barley; [EFSA]

Farming (Pesticides) [Category: Industry]

/Controls/ dicotyledonous and graminaceous weeds and sedges, controlling weeds in soyabeans at 70-250 g ai/hectare, and shows promise in cowpeas and tobacco.

Control of many broad leaved weeds in soya beans. Also controls or reduces competition from grasses and sedges. Applied either pre- or post-emergence.

Herbicide

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

Formulations/PreparationsLiquid concentrate

Use ClassificationHerbicides, Plant growth regulators

General Manufacturing InformationPre- and post-emergence imidazolinone herbicide.

応用分野

用途イマザキン試験用標準品。

使用Agricultural chemical.

上流・下流製品情報

上流原料

2-ブトキシエチルメタクリラートアンモニア水 3-メチル-2-ブタノンキノリン Dicarboxylic Acid 2,3-ジクロロ酪酸テトラブチルアンモニウムクロリド Dimethylbutyronitrile アニリンブチルアミドジクロロエタン

サプライヤー36 社

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

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

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

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]

2-(5-イソプロピル-5-メチル-4-オキソ-2-イミダゾリン-2-イル)-3-キノリンカルボン酸

基本情報

概要