CAS: 825633-94-1; 5-Iodo-2,3-Dihydropyridazin-3-One

• 英文名称5-Iodo-2,3-Dihydropyridazin-3-One
• 中文名称5-碘哒嗪-3(2H)-酮
• IUPAC名称5-iodopyridazin-3(2H)-one
• 其它别名5-碘-2,3-二氢哒嗪-3-酮; 5-Iodopyridazin-3(2H)-One
• CAS编号825633-94-1
• MFCD编号:MFCD08693620
• EINECS号:866-299-2
• 分子式:C4H3IN2O
• 分子量:221.98
• 产品CID: 1816194
• 产品分类有机原料→分子砌块→芳杂环类化合物→哒嗪类化合物

• 相似结构搜索
• InChIKey: UZWMMCWOUBWROK-UHFFFAOYSA-N
• InChI=1S/C4H3IN2O/c5-3-1-4(8)7-6-2-3/h1-2H,(H,7,8)…
• 计算化学: 氢键受体数2.0氢键供体数1.0可旋转键数0.0

相似化合物

物理性质

• 熔点147-148°C
• 沸点147-148 °C
• 密度2.4±0.1 g/cm3
• pKa:10.27±0.40(预测)
• PSA:45.75
• LogP:0.3745
• 折射率1.761
• 外观形态固体
• 储存条件置于阴暗处,密封, 常温干燥保存

MSDS等安全信息

• GHS符号GHS07
• 危险类别特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2A
• 警示词Warning
• 危险描述H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
• 危险品标志Xi

欧盟法规

上下游产品

合成工艺路线路线简述

• 41933-33-9 = 825633-94-1
  反应条件:1.1 Reagents: Hydrogen Iodide Solvents: Water; 24 H,Reflux1.2 Reagents: Sodium Thiosulfate Solvents: Water2.1 Reagents: Aluminum Chloride Solvents: Toluene; 120 °C
  标题:Pyridazine Derivatives. Part 39: Reactivity Of 5-Iodopyridazin-3(2H)-Ones In Palladium-Catalyzed Reactions
  作者:Coelho,Alberto; Et Al
  参考文献:Tetrahedron 日期:2004 卷标:60(52) 页码:12177-12189]
  
  932-22-9 = 825633-94-1 + 847026-46-4
  反应条件:1.1 Reagents: Hydrogen Iodide Solvents: Water; 3 H,120 °C; Cooled1.2 Reagents: Sodium Thiosulfate Solvents: Water; 40 °C
  标题:Reaction Of Chloropyridazin-3(2H)-Ones With Iodide. Part I. A Mechanistic Study
  作者:Krajsovszky,G.; Et Al
  参考文献:Journal Of Molecular Structure: Theochem 日期:2005 卷标:713(1-3) 页码:235-243]
  
  825633-93-0 = 825633-94-1
  反应条件:1.1 Reagents: Aluminum Chloride Solvents: Toluene; 120 °C
  标题:Pyridazine Derivatives. Part 39: Reactivity Of 5-Iodopyridazin-3(2H)-Ones In Palladium-Catalyzed Reactions
  作者:Coelho,Alberto; Et Al
  参考文献:Tetrahedron 日期:2004 卷标:60(52) 页码:12177-12189]
  
  932-22-9 = 825633-94-1
  反应条件:1.1 Reagents: Hydrogen Iodide Solvents: Water; 24 H,140 °C
  标题:Synthesis And Evaluation Of 4- And 5-Pyridazin-3-One Phenoxypropylamine Analogues As Histamine-3 Receptor Antagonists
  作者:Becknell,Nadine C.; Et Al
  参考文献:Bioorganic & Medicinal Chemistry 日期:2012 卷标:20(12) 页码:3880-3886]
  
  847026-46-4 = 825633-94-1
  反应条件:1.1 Reagents: Hydrogen Iodide Solvents: Water; 10 H,150 °C; Cooled1.2 Reagents: Sodium Thiosulfate Solvents: Water; 40 °C
  标题:Reaction Of Chloropyridazin-3(2H)-Ones With Iodide. Part I. A Mechanistic Study
  作者:Krajsovszky,G.; Et Al
  参考文献:Journal Of Molecular Structure: Theochem 日期:2005 卷标:713(1-3) 页码:235-243

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
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