CAS: 84478-72-8; 5-Amino-2-Chloro-4-Fluorophenol

• 英文名称5-Amino-2-Chloro-4-Fluorophenol
• 中文名称5-氨基-2-氯-4-氟苯酚
• IUPAC名称5-amino-2-chloro-4-fluorophenol
• 其它别名2-氟-4-氯-5-羟基苯胺; Phenol, 5-Amino-2-Chloro-4-Fluoro-
• CAS编号84478-72-8
• MFCD编号:MFCD00055622
• EINECS号:671-718-5
• 分子式:C6H5ClFNO
• 分子量:161.56
• 产品CID: 1833236
• 产品分类有机原料→分子砌块→芳环类化合物→苯类化合物

• 相似结构搜索
• InChIKey: AFZLCOLNTRPSIF-UHFFFAOYSA-N
• InChI=1S/C6H5ClFNO/c7-3-1-4(8)5(9)2-6(3)10/h1-2,10H,9H2…
• 计算化学: 氢键受体数2.0氢键供体数2.0可旋转键数0.0

物理性质

• 熔点157-160 °C
• 沸点272 °C at 760 mmHg
• 闪点118.2±25.9 °C
• 密度1.5±0.1 g/cm3
• pKa:8.57±0.23(预测)
• PSA:46.25
• LogP:1.7669
• 折射率1.618
• 蒸汽压0.0±0.6 mmHg at 25°C
• 溶解性Chloroform (Slightly, Heated, Sonicated), Methanol (Slightly)
• 外观形态深棕色固体
• 储存条件在惰性气体(氮气或氩气)下 2–8 °C

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别急性毒性 类别4(吸入)
  急性毒性 类别4(经皮)
  急性毒性 类别4(经口)
  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2
• 警示词Warning(警告)
• 危险描述H332 |吸入有害.
  H312 |皮肤接触有害.
  H302 |吞咽有害.
  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
• 危险等级IRRITANT

欧盟法规

上下游产品

合成工艺路线路线简述

• 84478-89-7 = 84478-72-8 [标题:Reaction Conditions
  标题:Tetrahydrophthalimides,And Their Use
  参考文献:European Patent Organization]
  
  84478-88-6 = 84478-72-8
  反应条件:1.1 Reagents: Sulfuric Acid,Nitric Acid2.1 -3.1 -
  标题:Tetrahydrophthalimides,And Their Use
  参考文献:European Patent Organization]
  
  1996-41-4 = 84478-72-8 [标题:Reaction Conditions
  标题:Tetrahydrophthalimides,And Their Use
  参考文献:European Patent Organization]
  
  84478-89-7 = 84478-72-8 + 62257-16-3
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Methanol,Water; 10 Min,20 - 40 °C; 1.5 H,30 - 40 °C2.1 Reagents: Hydrogen,Hydrochloric Acid Catalysts: Palladium Solvents: Methanol; 4 H,0.1 Mpa,15 - 25 °C
  标题:Development Of A Scalable Synthesis Of A Vascular Endothelial Growth Factor Receptor-2 Kinase Inhibitor: Efficient Construction Of A 6-Etherified [1,2,4]Triazolo[1,5-A]Pyridine-2-Amine Core
  作者:Ishimoto,Kazuhisa; Et Al
  参考文献:Organic Process Research & Development 日期:2014 卷标:18(1) 页码:122-134]
  
  137110-49-7 = 84478-72-8
  反应条件:1.1 Reagents: Potassium Hydroxide Solvents: Toluene,Water
  标题:Preparation Of 5-Amino-2-Chloro-4-Fluorophenol
  参考文献:Japan]
  
  84478-75-1 = 84478-72-8
  反应条件:1.1 Reagents: Ammonium Chloride Solvents: Ethanol,Water; Rt -> 60 °C1.2 Reagents: Iron; 2.5 H,65 - 75 °C
  标题:Synthesis And Herbicidal Activity Of N-(4-Chloro-2-Fluoro-5-Substituted Phenyl)Isoindole-1,3-Dione Derivatives
  作者:Zhang,Hao; Et Al
  参考文献:Youji Huaxue 日期:2015 卷标:35(1) 页码:159-166]
  
  153471-75-1 = 84478-72-8
  反应条件:1.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Toluene2.1 Reagents: Potassium Hydroxide Solvents: Toluene,Water
  标题:Preparation Of 5-Amino-2-Chloro-4-Fluorophenol
  参考文献:Japan]
  
  1996-41-4 = 84478-72-8 [标题:Reaction Conditions
  标题:Tetrahydrophthalimides,And Their Use
  参考文献:European Patent Organization]
  
  84478-89-7 = 84478-72-8 [标题:Reaction Conditions
  标题:Tetrahydrophthalimide Compounds And Their Use
  参考文献:European Patent Organization]
  
  153406-19-0 = 84478-72-8
  反应条件:1.1 Reagents: Sulfuric Acid,Nitric Acid2.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Toluene3.1 Reagents: Potassium Hydroxide Solvents: Toluene,Water
  标题:Preparation Of 5-Amino-2-Chloro-4-Fluorophenol
  参考文献:Japan]
  
  84478-88-6 = 84478-72-8
  反应条件:1.1 Reagents: Sulfuric Acid,Nitric Acid2.1 -3.1 -
  标题:Tetrahydrophthalimide Compounds And Their Use
  参考文献:European Patent Organization]
  
  1996-41-4 = 84478-72-8
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water2.1 Reagents: Sulfuric Acid,Nitric Acid3.1 Reagents: Hydrogen Catalysts: Palladium Solvents: Toluene4.1 Reagents: Potassium Hydroxide Solvents: Toluene,Water
  标题:Preparation Of 5-Amino-2-Chloro-4-Fluorophenol
  参考文献:Japan]
  
  84478-75-1 = 84478-72-8 + 62257-16-3
  反应条件:1.1 Reagents: Hydrogen,Hydrochloric Acid Catalysts: Palladium Solvents: Methanol; 4 H,0.1 Mpa,15 - 25 °C
  标题:Development Of A Scalable Synthesis Of A Vascular Endothelial Growth Factor Receptor-2 Kinase Inhibitor: Efficient Construction Of A 6-Etherified [1,2,4]Triazolo[1,5-A]Pyridine-2-Amine Core
  作者:Ishimoto,Kazuhisa; Et Al
  参考文献:Organic Process Research & Development 日期:2014 卷标:18(1) 页码:122-134]
  
  84478-88-6 = 84478-72-8 + 62257-16-3
  反应条件:1.1 Reagents: Sulfuric Acid,Nitric Acid Solvents: Water; Rt -> 5 °C; < 15 °C; 1 H,0 - 10 °C1.2 Solvents: Water; < 25 °C; 1 H,0 - 10 °C2.1 Reagents: Sodium Hydroxide Solvents: Methanol,Water; 10 Min,20 - 40 °C; 1.5 H,30 - 40 °C3.1 Reagents: Hydrogen,Hydrochloric Acid Catalysts: Palladium Solvents: Methanol; 4 H,0.1 Mpa,15 - 25 °C
  标题:Development Of A Scalable Synthesis Of A Vascular Endothelial Growth Factor Receptor-2 Kinase Inhibitor: Efficient Construction Of A 6-Etherified [1,2,4]Triazolo[1,5-A]Pyridine-2-Amine Core
  作者:Ishimoto,Kazuhisa; Et Al
  参考文献:Organic Process Research & Development 日期:2014 卷标:18(1) 页码:122-134]
  
  1996-41-4 = 84478-72-8 + 62257-16-3
  反应条件:1.1 Reagents: Sodium Carbonate Solvents: Water; Rt -> 45 °C; 1 H,45 °C; 45 °C -> 10 °C1.2 10 - 25 °C2.1 Reagents: Sulfuric Acid,Nitric Acid Solvents: Water; Rt -> 5 °C; < 15 °C; 1 H,0 - 10 °C2.2 Solvents: Water; < 25 °C; 1 H,0 - 10 °C3.1 Reagents: Sodium Hydroxide Solvents: Methanol,Water; 10 Min,20 - 40 °C; 1.5 H,30 - 40 °C4.1 Reagents: Hydrogen,Hydrochloric Acid Catalysts: Palladium Solvents: Methanol; 4 H,0.1 Mpa,15 - 25 °C
  标题:Development Of A Scalable Synthesis Of A Vascular Endothelial Growth Factor Receptor-2 Kinase Inhibitor: Efficient Construction Of A 6-Etherified [1,2,4]Triazolo[1,5-A]Pyridine-2-Amine Core
  作者:Ishimoto,Kazuhisa; Et Al
  参考文献:Organic Process Research & Development 日期:2014 卷标:18(1) 页码:122-134

海关参考信息

• 2903919090-氯苯
  2908199090-其他酚的卤化衍生物
  2908999090-其他酚的硝化衍生物
  2918290000-其他含酚基羧酸
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• ➥ 象形图和危险代码
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