CAS: 946578-00-3; Sulfoxaflor

• 英文名称Sulfoxaflor
• 中文名称氟啶虫胺腈
• IUPAC名称N-(methyloxido(1-(6-(trifluoromethyl)-3-pyridinyl)ethyl)-lambda4-sulfanylidene)cyanamide
• 其它别名Methyl[1-(2-trifluoromethylpyridin-5-yl)ethyl]-N-cyanosulfoximine; Sulfoxaflor
• CAS编号946578-00-3
• MFCD编号:MFCD22572331
• EINECS号:807-366-8
• FDA UNII编号:671W88OY8K
• 分子式:C10H10F3N3OS分子量:277.27
• 产品CID: 1998306
• 产品分类化学农药原药 → 杀虫剂 → 有机氯杀虫剂

• 相似结构搜索
• InChIKey: ZVQOOHYFBIDMTQ-UHFFFAOYNA-N
• InChI=1/C10H10F3N3OS/c1-7(18(2,17)16-6-14)8-3-4-9(15-5-8)10(11,12)13/h3-5,7H,1-2H3
• 计算化学: 氢键受体数7.0氢键供体数*可旋转键数2.0

物理性质

• 熔点112 °C (99.7% purity)
• 沸点363.8 °C at 760 mmHg
• 闪点173.8 °C
• 密度1.34g/cm3
• PSA:74.49
• LogP:3.60598
• 折射率1.519
• 蒸汽压1.9X10-8 mm Hg at 25 °C
• 溶解性Dichloromethane (Slightly), DMSO (Slightly), Methanol (Slightly)
• 外观形态白色至类白色固体
• 储存条件-20°C，密封保存，干燥环境

MSDS等安全信息

• GHS象形图
• GHS符号GHS07 & GHS09;
  注释: Exclamation mark & Environment
• 危险类别急性毒性 类别4(经口)
  水生急性毒性 类别1
  水生慢性毒性 类别1
• 警示词Warning(警告)
• 危险描述H302 |吞咽有害.
  H400 |对水生生物毒性极大.
  H410 |对水生生物毒性极大并具有长期持续影响.
• 防范说明P264-P270-P301+P312-P330-P501-P273-P391-P501
• 危险品标志Xi
• 安全声明IDENTIFICATION AND USE: Sulfoxaflor is a white powder with a sharp odor that is registered for pesticide use in the USA but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses. Sulfoxaflor is the first member of a new class of insecticides, the sulfoximines, and is a highly efficacious activator of the nicotinic acetylcholine receptor (nAChR) in insects. HUMAN EXPOSURE AND TOXICITY: Sulfoxaflor was shown to have no agonism on human fetal or adult muscle nAChRs. The data support the conclusion that the developmental effects of sulfoxaflor in rats are mediated via sustained agonism on the fetal muscle nAChR during late fetal development and are considered not relevant to humans. ANIMAL STUDIES: Toxicity and mechanistic studies in rats, rabbits, dogs and mice indicate that sulfoxaflor is an activator of the mammalian nAChR as well, but to a much lesser degree and in a species-specific manner. The nervous system and liver are the target organ systems of sulfoxaflor and its major metabolites resulted in hepatotoxicity; including liver weight and enzyme changes, hypertrophy, proliferation, and hepatocellular adenocarcinomas in subchronic and chronic studies in rodents. Developmental toxicity, manifested as skeletal abnormalities and neonatal deaths, was observed in rats only. The skeletal abnormalities, including forelimb flexure, bent clavicles, and hindlimb rotation, likely resulted from skeletal muscle contraction due to activation of the skeletal muscle nAChR in utero. Contraction of the diaphragm, also related to skeletal muscle nAChR activation, prevented normal breathing in neonates and resulted in increased mortality in the reproduction studies. Oral studies of mid- and high-dose sulfoxaflor resulted in decreased food consumption and subsequent decreased body weight as well as changes in the male reproductive system. Effects in the male reproductive organs were observed in the carcinogenicity study in rats that included increased testicular and epididymal weights, atrophy of seminiferous tubules, and decreased secretory material in the coagulating glands, prostate, and seminal vesicles. Additionally, there was an increased incidence of interstitial cell (Leydig cell) tumors, considered secondary to loss of normal testicular function. At the highest dose tested, muscle tremors and twitches, convulsions, hindlimb splaying, increased lacrimation and salivation, decreased pupil size and response to touch, gait abnormalities and decreased rectal temperature were observed. Decreased motor activity was also observed in the mid- and high-dose groups. Sulfoxaflor was negative for chromosomal aberrations with and without metabolic activation, and tested negative in Salmonella typhimurium strains TA 1535, TA 100, TA 1537, TA 98, and E. coli: WP2 uvrA in a standard reverse mutation assay.
• 危险类别码Acute toxicity in animals is low, but high doses in rats (oral LD50 = 1405 mg/kg) and mice (oral LD50 = 750 mg/kg) cause hyperactivity, labored breathing, and convulsions. No data available on adverse effects in humans; TLV Basis: liver and testicular injury in chronic animal feeding studies; [ACGIH]

欧盟法规

上下游产品

合成工艺路线路线简述

• 1046119-63-4 = 946578-00-3
  反应条件:1.1 Reagents: Sodium Permanganate Solvents: Dichloromethane,Water; Rt -> 3 °C; 2 H,3 °C -> 11 °C; 1 H,Cooled
  标题:Process For The Oxidation Of Certain Substituted N-Cyanosulfilimines To Insecticidal N-Cyanosulfoximines
  参考文献:United States]
  
  1046119-63-4 = 946578-00-3
  反应条件:1.1 Reagents: Sodium Permanganate Solvents: Dichloromethane,Water; Rt -> 3 °C; 2 H,3 °C -> 11 °C; 1 H,Cooled1.2 Reagents: Sodium Pyrosulfite Solvents: Water; 1.5 H
  标题:Process For The Oxidation Of Heteroaryl Sulfilimines To Sulfoximines With Ruthenium Tetroxide Or An Alkali Metal Permanganate
  参考文献:World Intellectual Property Organization]
  
  946577-99-7 = 946578-00-3
  反应条件:1.1 Reagents: Hexamethylphosphoramide,Potassium Bis(Trimethylsilyl)Amide Solvents: Toluene,Tetrahydrofuran; -78 °C; 20 Min,-78 °C1.2 1 H,-78 °C -> Rt1.3 Reagents: Ammonium Chloride Solvents: Water; Rt
  标题:Stable Insecticide Compositions Including An N-Substituted (6-Haloalkylpyridin-3- Yl)Alkyl Sulfoximine Compound And Methods For Preparation Of Same
  参考文献:World Intellectual Property Organization]
  
  946577-99-7 = 946578-00-3
  反应条件:1.1 Reagents: Potassium Bis(Trimethylsilyl)Amide Solvents: Toluene,Tetrahydrofuran,Hexamethylphosphoramide; -78 °C; 20 Min,-78 °C1.2 1 H,-78 °C -> Rt1.3 Reagents: Ammonium Chloride Solvents: Water
  标题:Increasing Plant Vigor With Sulfoximines
  参考文献:United States]
  
  946577-99-7 = 946578-00-3
  反应条件:1.1 Reagents: Hexamethylphosphoramide,Potassium Bis(Trimethylsilyl)Amide Solvents: Toluene,Tetrahydrofuran; -78 °C; 20 Min,-78 °C1.2 1 H,-78 °C -> 25 °C1.3 Reagents: Ammonium Chloride Solvents: Water
  标题:Preparation Of Insecticidal N-Substituted (6-Haloalkylpyridin-3-Yl)Alkyl Sulfoximines
  参考文献:World Intellectual Property Organization]
  
  1046119-63-4 = 946578-00-3
  反应条件:1.1 Reagents: Potassium Carbonate,M-Chloroperbenzoic Acid Solvents: Ethanol,Water; 20 Min,0 °C1.2 Solvents: Ethanol; 5 Min,0 °C1.3 Reagents: Water
  标题:Synthesis And Insecticidal Activity Of Sulfoxaflor
  作者:Wu,Enming; Yu,Haibo; Song,Yuquan; Liang,Bo; Wang,Junfeng; Et Al
  参考文献:Nongyao 日期:2011 卷标:50(1) 页码:23-25]
  
  = 946578-00-3 [标题:Reaction Conditions
  标题:Process For The Manufacture Of 2-Substituted-5-(1-Methylthio)Alkylpyridines
  参考文献:World Intellectual Property Organization]
  
  1046119-63-4 = 946578-00-3
  反应条件:1.1 Reagents: Permanganic Acid (Hmno4),Potassium Salt (1:1) Solvents: Acetonitrile,Water; < 20 °C; 50 Min,< 20 °C; 20 °C -> 10 °C1.2 Reagents: Sodium Pyrosulfite Solvents: Water; 15 Min,< 10 °C
  标题:Synthetic Process Of Novel Pesticides Sulfoxaflor
  作者:Liu,Anchang; Zhou,Qing; Shen,Qiao; Du,Changfeng
  参考文献:Youjifu Gongye 日期:2012 卷标:(3) 页码:5-7]
  
  1049684-75-4 = 946578-00-3
  反应条件:1.1 Reagents: Nitric Acid,Periodic Acid (H5Io6),Sodium Salt (1:3) Catalysts: Ruthenium Trichloride Solvents: Ethyl Acetate,Water; Ph 3 - 4,Rt
  标题:Anodic Dehydrogenative Cyanamidation Of Thioethers: Simple And Sustainable Synthesis Of N-Cyanosulfilimines
  作者:Klein,Martin; Waldvogel,Siegfried R.
  参考文献:Angewandte Chemie 日期:2021 卷标:60(43) 页码:23197-23201]
  
  946577-99-7 = 946578-00-3
  反应条件:1.1 Reagents: Hexamethylphosphoramide,Potassium Bis(Trimethylsilyl)Amide Solvents: Toluene,Tetrahydrofuran; -78 °C; 20 Min,-78 °C1.2 1 H,-78 °C -> Rt1.3 Reagents: Ammonium Chloride Solvents: Water
  标题:Synergistic Pesticidal Compositions Including A Sulfoximine Pesticide And Herbicide,And Preparation Of Sulfoximines
  参考文献:United States]
  
  946577-99-7 = 946578-00-3
  反应条件:1.1 Reagents: Hexamethylphosphoramide,Potassium Tert-Butoxide,Potassium Bis(Trimethylsilyl)Amide Solvents: Toluene,Tetrahydrofuran; -78 °C; 20 Min,-78 °C1.2 1 H,-78 °C -> Rt1.3 Reagents: Ammonium Chloride Solvents: Water; Rt
  标题:Synergistic Pesticidal Mixtures Containing Sulfoximines
  参考文献:World Intellectual Property Organization]
  
  946577-99-7 = 946578-00-3
  反应条件:1.1 Reagents: Hexamethylphosphoramide,Potassium Bis(Trimethylsilyl)Amide Solvents: Toluene,Tetrahydrofuran; -78 °C; 20 Min,-78 °C1.2 1 H,-78 °C -> Rt1.3 Reagents: Ammonium Chloride Solvents: Water
  标题:Preparation Of Sulfoximine Insecticides For Control Of Resistant Insects
  参考文献:World Intellectual Property Organization]
  
  1046119-63-4 = 946578-00-3
  反应条件:1.1 Reagents: Acetic Acid,Sodium Permanganate Solvents: Acetonitrile,Water; Rt -> 15 °C; 50 Min,19 °C; 45 Min
  标题:Process For The Preparation Of Certain Substituted N-Cyanosulfilimines
  参考文献:United States]
  
  = 946578-00-3 [标题:Reaction Conditions
  标题:Preparation Of Pyridine,Oxazoline,Isoxazoline,And 2-Pyranone Derivatives As Agricultural Chemicals
  参考文献:World Intellectual Property Organization]
  
  1046119-63-4 = 946578-00-3 + 358780-14-0
  反应条件:1.1 Reagents: Acetic Acid,Sodium Permanganate Solvents: Acetonitrile,Water; 74 Min,10 - 15 °C; 45 Min,15 °C
  标题:Process For The Preparation Of Certain Substituted Sulfilimines
  参考文献:United States

海关参考信息

• 2933310010-吡啶
  2903399090-其他无环烃卤化衍生物
  2930909099-其他有机硫化合物
  2939800000-其他生物碱
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