四唑嘧磺隆 (HCID 86355)

概述

Azimsulfuron is an N-sulfonylurea that is urea in which a nitrogen attached to one of the nitrogens has been replaced by a 4,6-dipyrimidin-2-yl group while a hydrogen attached to the other urea nitrogen has been replaced by a [1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazol-5-yl]sulfonyl group.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

名称与标识

首选名称: Azimsulfuron
IUPAC: 1-(4,6-dimethoxypyrimidin-2-yl)-3-[1-methyl-4-(2-methyltetrazol-5-yl)pyrazol-5-yl]sulfonylurea
中文名: 四唑嘧磺隆
英文名: Azimsulfuron
分子式: C13H16N10O5S
分子量: 424.4

名称与别名

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

展开更多名称

康宁四唑嘧磺隆四唑嘧磺隆原药四唑嘧磺隆标准品四唑嘧磺隆50%WG四唑嘧磺隆溶液,100PPM50%四唑嘧磺隆水分散粒剂WDGAzimsulfuron, 100 μg/mL in AcetonitrileAZIMSULFURON@1000 ΜG/ML IN ACETONITRILE1-((4,6-二甲氧基嘧啶-2-基)-3-(1-甲基-4-(2-甲基-2H-四唑-5-基)吡唑)-5-基磺酰基)脲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

数据库标识

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

性质

结构计算性质

XLogP: 0.3
极性表面积: 189 Å²
氢键供体: 2
氢键受体: 11
可旋转键: 6
重原子: 29
形式电荷: 0
复杂度: 665

实验与物化性质

Pesticides · 3 条

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

物理化学性质

熔点: 170 ° · 170°
密度: 1.74 · 1.74±0.1 g/cm3(Predicted)
储存条件: 2 · Sealed in dry,2-8°C
溶解度: Solubility in organic solvents (g/l at 25 °C) Acetone 26.4 Acetonitrile 13.9 Ethyl acetate 13.0 Dichloromethane 65.9 n‐Hexane <0.2 Methanol 2.1 Toluene 1.8
酸度系数(pKa): 3.6 · 3.6(at 25℃)
形态: Solid
颜色: White to Off-White
水溶解性: Solubility in water (g/l at 20 °C): 0.072 (pH 5) 1.050 (pH 7) 6.536 (pH 9).
BRN: 8284859 · 8284859
Henry's Law Constant: 2 · 2.0×109 mol/(m3Pa) at 25℃, Maniere et al. (2011)
主要应用: agricultureenvironmental
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 数据库: 120162 · 120162-55-2(CAS DataBase Reference)
EPA化学物质信息: Azimsulfuron (120162-55-2)

化学性质

纯品为白色固体。m.p.170℃，蒸气压4×10-9Pa (25℃)，相对密度1.41。20℃时溶解度为：乙腈13.9mg/L，丙酮26.4mg/L，甲醇2.1 mg/L，甲苯1.8mg/L，正己烷<0.2mg/L，乙酸乙酯13.0mg/L，二氯甲烷65.9mg/L，水72.3mg/L （pH=5)、1050mg/L (pH=7)、6536mg/L (pH=9)。分配系数为0.646 (pH=5)、1.37 (pH=7)、-2.08 (pH=9)。pKa3.6。

安全与法规

GHS分类

GHS Classification · 6 条

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)

危害信息

Regulatory Information · 2 条

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 条

Aquatic Acute 1 (100%)

Hazardous to the aquatic environment (acute) - category 1

Aquatic Acute 1

安全数据

wgk: WGK 2
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)
存储类别: 11 - Combustible Solids
安全说明: 60-61
海关编码: 29350090
危险品标志: N
危险性类别: Aquatic Acute 1Aquatic Chronic 1
危险类别码: 50/53
危险品运输编号: UN 3077 9 / PGIII

毒性防护

毒性大鼠急性经口LD50>5000mg/kg，兔急性经皮LD50>2000mg/kg，大鼠急性吸入LC50为5.9mg/L。对兔皮肤和眼睛无刺激性。无致突变性。鲤鱼LC50>300mg/L、鳟鱼为154mg/L、大翻车鱼>1000mg/L （均96h)。野鸭和鹌鹑急性经口LD50>2250mg/kg。

化学与工业

药理信息

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

应用领域

用途磺酰脲类除昌剂，乙酰乳酸合成酶抑制剂。水稻苗后使用，通过杂草根叶吸收，在植株体内传导，致使杂草枯死。用于水稻田防除稗草、阔叶草和莎草科杂草。在水稻苗后施用，剂量为8～25g/hm2 ，若与助剂一起，用量更低。以20～25g/hm2 施用，可有效防除稗草、北水毛花、异型莎草、紫水苋菜、眼子菜、花蔺、欧泽泻等。四唑嘧磺隆及稗草和莎草的活性高于苄嘧磺隆，两者混用明显增效。混用后即使遇雨水淋洗，除草效果仍稳定。

用途四唑嘧磺隆主要用于防除稗草、阔叶杂草和莎草科杂草．因其在水稻植株内迅速代谢为无毒物，故对水稻安全。水稻苗后施用，使用剂量为8～25g(a.i.)/ha。如果与助剂一起使用用量将更低。20～25g(a.i.)/ha施用，可有效地防除稗草、北水毛花、异型莎草、紫水苋菜、眼子菜、花蔺、欧泽泻等．其对稗草和莎草的活性高于苄嘧磺隆，若两者混用，增效明显，混用后，即使在遭大水淋洗、低温情况下，除草效果仍很稳定。

制备方法

生产方法以丙二腈为起始原料，与原甲酸三甲酯反应后与甲肼缩合得吡唑胺，再与叠氮化钠反应，经甲基化、重氮化、磺酰化、胺化，最后与嘧啶氨基甲酸苯酯缩合，后处理即得目的产物。

上下游产品信息

上游原料

叠氮化钠丙二腈 5-氨基-1-甲基吡唑-4-甲酸乙酯甲基肼苯氨基甲酸甲酯

下游产品

古柯碱

供应商50 家

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关联笔记

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四唑嘧磺隆

基本信息

概述