四唑嘧磺隆
Azimsulfuron
基本信息
- CAS
120162-55-2- 标准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
- 单同位素质量
- 424.10258461
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Azimsulfuron is an N-sulfonylurea that is urea in which a nitrogen attached to one of the nitrogens has been replaced by a 4,6-dipyrimidin-2-yl group while a hydrogen attached to the other urea nitrogen has been replaced by a [1-methyl-4-(2-methyl-2H-tetrazol-5-yl)-1H-pyrazol-5-yl]sulfonyl group.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 Ų
- 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
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
安全信息仅供参考，不能替代供应商安全技术说明书（SDS）、适用法规与专业评估。
GHS分类
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)
危害信息
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。
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