CAS: 82671-06-5; 2,6-Dichloro-5-Fluoropyridine-3-Carboxylic Acid

• 英文名称2,6-Dichloro-5-Fluoropyridine-3-Carboxylic Acid
• 中文名称2,6-二氯-5-氟烟酸
• IUPAC名称2,6-dichloro-5-fluoronicotinic acid
• 其它别名2,6-Dichloro-5-fluoro-3-pyridinecarboxylic acid
• CAS编号82671-06-5
• MFCD编号:MFCD00799517
• EINECS号:628-094-4
• FDA UNII编号:RG9F86SW85
• 分子式:C6H2Cl2FNO2
• 分子量:209.99
• 产品CID: 1816870
• 产品分类医药中间体 → 吡啶类化合物

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: LTDGKGCHRNNCAC-UHFFFAOYSA-N
• InChI=1S/C6H2Cl2FNO2/c7-4-2(6(11)12)1-3(9)5(8)10-4/h1H,(H,11,12)…
• 计算化学: 氢键受体数4.0氢键供体数1.0可旋转键数1.0

物理性质

• 熔点152-155  °C(文献)
• 沸点335.3±37.0 °C at 760 mmHg
• 闪点156.6±26.5 °C
• 密度1.7±0.1 g/cm3
• pKa:1.38±0.32(预测)
• PSA:50.19
• LogP:1.53
• 折射率1.580
• 蒸汽压0.0±0.8 mmHg at 25°C
• 敏感性按规定使用和贮存的不会分解，避氧化物
• 外观形态白色至黄色至橙色粉末至晶体
• 储存条件置于阴暗处,密封, 常温干燥保存
• 产品应用医药中间体
• 性质描述类白色粉末,熔点153-158°C

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 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2
  严重眼刺激 类别2A
• 警示词Warning(警告)
• 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-P271-P280-P302+P352-P305+P351+P338
• 危险等级IRRITANT
• UN编号NONH for all modes of transport
• 危险品标志Xi
• 安全声明26-37/39
• 危险类别码36/37/38
• WGK Germany1

欧盟法规

上下游产品

合成工艺路线路线简述

• 合成目标产物 2,6-Dichloro-5-Fluoronicotinic Acid 主要起始原料 Ethyl 2,6-Dichloro-5-Fluoropyridine-3-Carboxylate
• 75993-41-8 = 82671-06-5 [标题:Reaction Conditions
  标题:1,8-Naphthyridine Derivatives
  参考文献:Japan]
  
  104866-49-1 = 82671-06-5
  反应条件:1.1 Reagents: Chlorine2.1 Reagents: Sulfuric Acid
  标题:1-Cyclopropyl-1,4-Dihydro-4-Oxo-1,8-Naphthyridine-3-Carboxylic Acids
  参考文献:Federal Republic Of Germany]
  
  104866-50-4 = 82671-06-5
  反应条件:1.1 Reagents: Sulfuric Acid
  标题:1-Cyclopropyl-1,4-Dihydro-4-Oxo-1,8-Naphthyridine-3-Carboxylic Acids
  参考文献:Federal Republic Of Germany]
  
  82671-02-1 = 82671-06-5
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Water
  标题:Synthesis And Biological Activity Of Fluorine-Substituted Pyridine-Heterocyclic Carboxylate Compounds
  作者:Zheng,Hui; Et Al
  参考文献:Yingyong Huaxue 日期:2010 卷标:27(2) 页码:164-168]
  
  82671-02-1 = 82671-06-5
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Water; 45 Min,75 °C; Cooled1.2 Reagents: Hydrochloric Acid Solvents: Water; 1 H,Reflux
  标题:Synthesis Of 2,6-Dichloro-5-Fluoro-3-Pyridinecarboxylic Acid
  作者:Tan,Zhen-You; Et Al
  参考文献:Huaxue Shiji 日期:2008 卷标:30(1) 页码:35-36]
  
  82671-03-2 = 82671-06-5
  反应条件:1.1 Reagents: Trifluoroacetic Acid,Hydrochloric Acid Solvents: Water
  标题:Synthesis And Structure-Activity Relationships Of New Arylfluoronaphthyridine Antibacterial Agents
  作者:Chu,Daniel T. W.; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:1986 卷标:29(11) 页码:2363-9]
  
  104866-47-9 = 82671-06-5
  反应条件:1.1 Reagents: Hydrofluoric Acid2.1 Reagents: Chlorine3.1 Reagents: Sulfuric Acid
  标题:1-Cyclopropyl-1,4-Dihydro-4-Oxo-1,8-Naphthyridine-3-Carboxylic Acids
  参考文献:Federal Republic Of Germany]
  
  109-94-4 + 107-91-5 = 82671-06-5
  反应条件:1.1 Reagents: Sodium Methoxide2.1 Reagents: Phosphorus Trichloride3.1 Reagents: Sulfuric Acid Solvents: Water
  标题:Synthesis And Biological Activity Of Fluorine-Substituted Pyridine-Heterocyclic Carboxylate Compounds
  作者:Zheng,Hui; Et Al
  参考文献:Yingyong Huaxue 日期:2010 卷标:27(2) 页码:164-168]
  
  109-94-4 + 107-91-5 = 82671-06-5
  反应条件:1.1 Reagents: Sodium Methoxide2.1 Reagents: Phosphorus Pentachloride3.1 Reagents: Sulfuric Acid Solvents: Water
  标题:Synthesis And Biological Activity Of Novel Fluorine-Containing Pyridine-Heterocyclic Acylamide Compounds
  作者:Zheng,Hui; Et Al
  参考文献:Nongyao 日期:2008 卷标:47(1) 页码:34-36]
  
  109-94-4 + 107-91-5 = 82671-06-5
  反应条件:1.1 Catalysts: Sodium Methoxide Solvents: Toluene; Rt; 1 H,< 50 °C1.2 5 H,< 50 °C; 50 °C -> 20 °C1.3 Solvents: Methanol; 10 - 20 °C; 20 °C -> Rt; 8 H,Rt1.4 Reagents: Acetic Acid Solvents: Water; Rt2.1 Reagents: Phosphorus Oxychloride Catalysts: Triethanolamine; Rt -> 90 °C; 1 H,80 - 90 °C2.2 Reagents: Phosphorus Pentachloride; 20 H,Reflux3.1 Reagents: Sulfuric Acid Solvents: Water; 45 Min,75 °C; Cooled3.2 Reagents: Hydrochloric Acid Solvents: Water; 1 H,Reflux
  标题:Synthesis Of 2,6-Dichloro-5-Fluoro-3-Pyridinecarboxylic Acid
  作者:Tan,Zhen-You; Et Al
  参考文献:Huaxue Shiji 日期:2008 卷标:30(1) 页码:35-36]
  
  105-39-5 = 82671-06-5
  反应条件:1.1 Reagents: Potassium Fluoride Catalysts: Tetrabutylammonium Bromide Solvents: Dimethylformamide; Rt -> 120 °C; 15 Min,120 °C; 120 °C -> 100 °C1.2 10 H,Reflux2.1 Catalysts: Sodium Methoxide Solvents: Toluene; Rt; 1 H,< 50 °C2.2 5 H,< 50 °C; 50 °C -> 20 °C2.3 Solvents: Methanol; 10 - 20 °C; 20 °C -> Rt; 8 H,Rt2.4 Reagents: Acetic Acid Solvents: Water; Rt3.1 Reagents: Phosphorus Oxychloride Catalysts: Triethanolamine; Rt -> 90 °C; 1 H,80 - 90 °C3.2 Reagents: Phosphorus Pentachloride; 20 H,Reflux4.1 Reagents: Sulfuric Acid Solvents: Water; 45 Min,75 °C; Cooled4.2 Reagents: Hydrochloric Acid Solvents: Water; 1 H,Reflux
  标题:Synthesis Of 2,6-Dichloro-5-Fluoro-3-Pyridinecarboxylic Acid
  作者:Tan,Zhen-You; Et Al
  参考文献:Huaxue Shiji 日期:2008 卷标:30(1) 页码:35-36]
  
  58596-89-7 = 82671-06-5
  反应条件:1.1 Reagents: Sodium Nitrite,Hydrochloric Acid2.1 Reagents: Hydrofluoric Acid3.1 Reagents: Chlorine4.1 Reagents: Sulfuric Acid
  标题:1-Cyclopropyl-1,4-Dihydro-4-Oxo-1,8-Naphthyridine-3-Carboxylic Acids
  参考文献:Federal Republic Of Germany

海关参考信息

• 2905110000-甲醇
  2912110000-甲醛
  2915110000-甲酸
  2933310010-吡啶
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• 详情请参考：📖 海关编码查询和海关进出口税则

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