Imazaquin

HCID 54739CAS 81335-37-7
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Grundinformationen

Standard-SMILES
CC(C)C1(C)N=C(c2nc3ccccc3cc2C(=O)O)NC1=O
InChIKey
CABMTIJINOIHOD-UHFFFAOYSA-N
Summenformel
C17H17N3O3
Durchschnittliche Molmasse
311,33 g/mol
Monoisotopische Masse
311,1269914

Überblick

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.

Namen und Bezeichner

Bevorzugter Name
Imazaquin
IUPAC
2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic acid
Englischer Name
Imazaquin acid
Summenformel
C17H17N3O3
Molmasse
311.34

Namen und Synonyme

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)
Weitere Namen anzeigen
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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,5
Polarare Oberfläche (TPSA)
91,7 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
5
Frei drehbare Bindungen
3
Schwere Atome
23

Experimentelle und physikochemische Eigenschaften

Pesticides · 6 Einträge

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 Einträge

Colorless solid

Tan solid

Crystals from hexane + ethyl acetate

Solubility · 3 Einträge

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

Physikochemische Eigenschaften

Schmelzpunkt
219 · 219-224°C
Siedepunkt
451.38 °C · 451.38°C (rough estimate)
Dichte
1.142 · 1.1420 (rough estimate)
Brechungsindex
1.65 · 1.6500 (estimate)
storage temp.
0 · 0-6°C
pka
3.1 · 3.10±0.30(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Regulatory Information · 2 Einträge

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 Eintrag

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%)

Sicherheit und Schutzausrüstung

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

Toxikologische Informationen

Target OrgansHematologic
Ecotoxicity Values · 4 Einträge

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 Einträge

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.

Sicherheitsdaten

wgk
2
RTECS-Nr.
VB2009800
risk_code
21
Toxizität
LD50 orally in rats: 5000 mg/kg; LC50 (96 hr) in rainbow trout: 100 mg/l (Congleton)
hazard_code
Xn
safety_code
36

Chemie und Industrie

Pharmakologische Informationen

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.

Verwendung und Herstellung

Uses · 6 Einträge

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.

Anwendungen

VerwendenAgricultural chemical.

Vor- und nachgelagerte Produkte

Anbieter36 Anbieter

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]

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