Azimsulfuron (HCID 86355)

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Azimsulfuron is an N-sulfonylurea that is urea in which a nitrogen attached to one of the nitrogens has been replaced by a 4,6-dipyrimidin-2-yl group while a hydrogen attached to the other urea nitrogen has been replaced by a [1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazol-5-yl]sulfonyl group.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

データベース識別子

CAS: 120162-55-2
PubChem CID: 86355
DTXSID: DTXSID8041614
ChEBI: CHEBI:81746
UNII: R959I3139C
EC Number: 601-676-5
Nikkaji: J668.740G

物性

構造計算による物性

XLogP: 0.3
極性表面積: 189 Å²
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 · 3 件

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)。
BRN: 8284859 · 8284859
Henry's Law Constant: 2 · 2.0×109 mol/(m3Pa) at 25℃, Maniere et al. (2011)
主な用途: 農業環境
InChI: 1S/C13H16N10O5S/c1-22-11(7(6-14-22)10-18-21-23(2)19-10)29(25,26)20-13(24)17-12-15-8(27-3)5-9(16-12)28-4/h5-6H,1-4H3,(H2,15,16,17,20,24)
InChIKey: MAHPNPYYQAIOJN-UHFFFAOYSA-N
SMILES: COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(cnn2C)-c3nnn(C)n3)n1
LogP: 0.65 · 0.650
CAS データベース: 120162 · 120162-55-2(CAS DataBase Reference)
EPAの化学物質情報: Azimsulfuron (120162-55-2)

安全と法規制

GHS分類

GHS Classification · 6 件

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 · 2 件

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 · 3 件

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 · 2 件

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.

上流・下流製品情報

上流原料

アジ化ナトリウムマロノニトリル 1-メチル-5-アミノ-1H-ピラゾール-4-カルボン酸エチルメチルヒドラジンカルバミン酸フェニル

下流製品

コカイン·塩酸

サプライヤー50 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]

湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]

河北贞田食品添加剂有限公司0319-5925599 13373390591

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

アジムスルフロン

基本情報

概要