アジムスルフロン
Azimsulfuron
基本情報
- CAS
120162-55-2- 標準SMILES
COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(-c3nnn(C)n3)cnn2C)n1- InChIKey
MAHPNPYYQAIOJN-UHFFFAOYSA-N- 分子式
- C13H16N10O5S
- 平均分子量
- 424.4 g/mol
- 単同位体質量
- 424.10258461
概要
Azimsulfuron is an N-sulfonylurea that is urea in which a nitrogen attached to one of the nitrogens has been replaced by a 4,6-dipyrimidin-2-yl group while a hydrogen attached to the other urea nitrogen has been replaced by a [1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazol-5-yl]sulfonyl group. An acetolactate synthase inhibitor, it is used as a herbicide for the control of a variety of broad-leaved and sedge weeds in paddy fields and other aquatic situations. It has a role as an EC 2.2.1.6 (acetolactate synthase) inhibitor and a herbicide. It is an aromatic ether, a member of tetrazoles, a pyrazole pesticide, a biaryl and a N-sulfonylurea.
名称と識別子
- 優先名称
- Azimsulfuron
- IUPAC
- 1-(4,6-dimethoxypyrimidin-2-yl)-3-[1-methyl-4-(2-methyltetrazol-5-yl)pyrazol-5-yl]sulfonylurea
- 現地名
- アジムスルフロン
- 英語名
- Azimsulfuron
- 分子式
- C13H16N10O5S
- 分子量
- 424.4
名称と別名
Azimsulfuron120162-55-2DPX 47DPX-A 8947IN-A 894A 8947A-8947A8947N-(((4,6-Dimethoxy-2-pyrimidinyl)amino)carbonyl)-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamideR959I3139CDTXSID8041614CHEBI:81746
名称をさらに表示
アジムスルフロン標準品アジムスルフロン1-(4,6-ジメトキシピリミジン-2-イル)-3-[2-メチル-4-(2-メチル-2H-テトラゾール-5-イル)-2H-ピラゾール-3-イルスルホニル]尿素1-(4,6-ジメトキシピリミジン-2-イル)-3-{[1-メチル-4-(2-メチル-2H-1,2,3,4-テトラゾール-5-イル)-1H-ピラゾール-5-イル]スルホニル}尿素N-(4,6-ジメトキシ-2-ピリミジニル)-N′-[[1-メチル-4-(2-メチル-2H-テトラゾール-5-イル)-1H-ピラゾール-5-イル]スルホニル]尿素dpx47ExpretJS 458GULLIVERin-a8947dpx-a8947AZIMSULPHURON
1-(4,6-DIMETHOXYPYRIMIDIN-2-YL)-3-(1-METHYL-4-(2-METHYL-2H-TETRAZOL-5-YL)PYRAZOL-5-YLSULFONYL)UREA1-(4,6-dimethoxypyrimidin-2-yl)-3-[1-methyl-4-(2-methyl-2H-tetrazol-5-yl)pyrazol-5-ylsulfonyl]ureaN-((4,6-dimethoxy-2-pyrimidinyl)carbamoyl)-1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazole-5-sulfonamide1-(4,6-dimethoxypyrimidin-2-yl)-3-(1-methyl-4-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)-1H-pyrazole-5-sulfonyl)urea1-(4,6-dimethoxypyrimidin-2-yl)-3-[1-methyl-4-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)-1H-pyrazole-5-sulfonyl]urean-[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]-1-methyl-4-(2-methyl-2h-tetrazol-5-yl)-1h-pyrazole-5-sulfonamideRefChem:116120DTXCID6021614
物性
構造計算による物性
- XLogP
- 0.3
- 極性表面積
- 189 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 11
- 回転可能結合数
- 6
- 重原子数
- 29
- 形式電荷
- 0
- 複雑度
- 665
実験および物理化学的性質
Pesticides
Agrochemicals -> Pesticide active substances
Active substance -> EU Pesticides database: Not approved
Pesticide (Azimsulfuron) -> USDA PDB
LogP0.65
Solubility1050 mg/L @ 20 °C (exp)
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point170 °C
Physical DescriptionSolid
物理化学的性質
- 融点
- 170 ° · 170°
- 比重(密度)
- 1.74 · 1.74±0.1 g/cm3(Predicted)
- 貯蔵温度
- 2 · Sealed in dry,2-8°C
- 溶解性
- 有機溶媒への溶解度 (g/lat 25°C) アセトン 26.4 アセトニトリル 13.9 酢酸エチル 13.0 ジクロロメタン 65.9 ヘキサン メタノール 2.1トルエン 1.8
- 外見
- Solid
- 酸解離定数(Pka)
- 3.6 · 3.6(at 25℃)
- 色
- ホワイトからオフホワイト
- 水溶解度
- 水への溶解度 (g/lat 20°C): 0.072 (pH5) 1.050 (pH7) 6.536 (pH9)。
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H400: 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)
Warning
H400 (100%): 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)
危険有害性情報
Regulatory Information
Commission Regulation (EC) No 737/2007
1999/80/EC, 2007/21/EC, 2010/54/EU, Reg. (EU) 2022/801, Reg. (EU) No 540/2011, Reg. (EU) No 704/2011
Hazard Classes and Categories
Aquatic Acute 1 (100%)
Hazardous to the aquatic environment (acute) - category 1
Aquatic Acute 1
安全データ
- wgk
- WGK 2
- ridadr
- UN 3077 9 / PGIII
- 毒性
- LD50 in rats, bobwhite quail, mallard duck (mg/kg): >5000, >2250, >2250 orally; in rats (mg/kg): >2000 dermally (Marquez); LC50 (96 hr) in carp, bluegill sunfish, rainbow trout (ppm): >300, >1000, 154 (Marquez)
- hs_code
- 29350090
- risk_code
- 50/53
- hazard_code
- N
- safety_code
- 60-61
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1
- ストレージクラス
- 11 - Combustible Solids
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.
Cellular LocationsCytoplasm
応用分野
使用Azimsulfuron may be used as an analytical reference standard for the determination of the pesticide in:Paddy field water by direct injection using liquid chromatography-hybrid triple quadrupole-linear ion trap-mass spectrometry (LC-QqLIT-MS).Tap and leaching water samples by solid-phase extraction (SPE), followed by LC coupled to tandem mass spectrometry (LC-MS/MS).
一般的な説明Azimsulfuron is a sulfonylurea based pesticide.
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