CAS: 82671-02-1; 2,6-Dichloro-5-Fluoronicotinonitrile

• 英文名称2,6-Dichloro-5-Fluoronicotinonitrile
• 中文名称3-氰基-2,6-二氯-5-氟吡啶
• IUPAC名称2,6-dichloro-5-fluoronicotinonitrile
• 其它别名2,6-Dichloro-3-Fluoro-5-Cyanopyridin; 2,6-Dichloro-5-Fluoro-3-Pyridinecarbonitrile, ; 2,6-Dichloro-5-Fluoro-Pyridine-3-Carbonitrile; 2,6-Dichloro-5-Fluoropyridine-3-Carbonitrile; C6Hcl2Fn2; 2,6-D
• CAS编号82671-02-1
• MFCD编号:MFCD01863289
• EINECS号:628-096-5
• FDA UNII编号:W7V4DG9YQS
• 分子式:C6HCl2FN2
• 分子量:190.99
• 产品CID: 1816866
• 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: DEDKKOOGYIMMBC-UHFFFAOYSA-N
• InChI=1S/C6HCl2FN2/c7-5-3(2-10)1-4(9)6(8)11-5/h1H…
• 计算化学: 氢键受体数3.0氢键供体数0.0可旋转键数0.0

物理性质

• 熔点89-91 °C (文献)
• 沸点267.8±35.0 °C(预测)
• 闪点115.8 °C
• 密度1.6175 (估算)
• pKa:-6.91±0.10(预测)
• PSA:36.68
• LogP:2.39918
• 折射率1.58
• 蒸汽压4.77E-05 mmHg at 25 °C
• 溶解性Soluble In Methanol
• 外观形态淡黄色结晶粉末
• 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3(吸入)
  急性毒性 类别3(经皮)
  急性毒性 类别3(经口)
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  特定目标器官毒性 - 单次接触 类别3
  严重眼损伤 类别1
  皮肤致敏 类别1
  水生急性毒性 类别1
  水生慢性毒性 类别1
  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)
  严重眼刺激 类别2A
• 警示词Warning(警告)
• 危险描述H331 |吸入会中毒.
  H311 |皮肤接触会中毒.
  H301 |吞咽会中毒.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
  H335 |可能引起呼吸道刺激.
  H318 |造成严重眼损伤.
  H317 |可能引起皮肤过敏反应.
  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.
  H332 |吸入有害.
  H312 |皮肤接触有害.
  H302 |吞咽有害.
• 防范说明P261-P264-P271-P280-P302+P352-P305+P351+P338
• 危险等级6.1
• UN编号3439
• 危险品标志Xi
• 风险等级Irritant
• 包装等级III
• 安全声明26-36
• 危险类别码36/37/38
• WGK Germany3

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-Fluoro-3-Pyridinecarbonitrile 主要起始原料 5-Fluoro-6-Hydroxy-2-Oxo-1H-Pyridine-3-Carboxamide
• 113237-18-6 = 82671-02-1
  反应条件:1.1 Reagents: Phosphorus Oxychloride Catalysts: Triethanolamine; Rt -> 90 °C; 1 H,80 - 90 °C1.2 Reagents: Phosphorus Pentachloride; 20 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]
  
  75993-41-8 = 82671-02-1
  反应条件:1.1 Reagents: Phosphorus Pentachloride
  标题:Pyridonecarboxylic Acids As Antibacterial Agents. Viii. An Alternative Synthesis Of Enoxacin Via Fluoronicotinic Acid Derivatives
  作者:Miyamoto,Teruyuki; Et Al
  参考文献:Chemical & Pharmaceutical Bulletin 日期:1987 卷标:35(6) 页码:2280-5]
  
  74011-58-8 = 82671-02-1
  反应条件:1.1 Reagents: Sodium Ethoxide,Sodium 3-Ethoxy-2-Fluoro-3-Oxoprop-1-En-1-Olate Solvents: Ethanol2.1 Reagents: Phosphorus Pentachloride
  标题:Pyridonecarboxylic Acids As Antibacterial Agents. Viii. An Alternative Synthesis Of Enoxacin Via Fluoronicotinic Acid Derivatives
  作者:Miyamoto,Teruyuki; Et Al
  参考文献:Chemical & Pharmaceutical Bulletin 日期:1987 卷标:35(6) 页码:2280-5]
  
  113237-18-6 = 82671-02-1
  反应条件:1.1 Reagents: Phosphorus Trichloride
  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]
  
  75993-41-8 = 82671-02-1 [标题:Reaction Conditions
  标题:1,8-Naphthyridine Derivatives And Their Salts
  参考文献:Japan]
  
  104866-50-4 = 82671-02-1
  反应条件:1.1 Reagents: Ammonium Bromide Catalysts: Zinc Oxide (Zno) Solvents: Xylene
  标题:Process For Producing Cyanopyridine Derivative By Reaction Of 3-Trichloromethylpyridine Derivative With Ammonium Halide
  参考文献:World Intellectual Property Organization]
  
  109-94-4 + 107-91-5 = 82671-02-1
  反应条件:1.1 Reagents: Sodium Methoxide2.1 Reagents: Phosphorus Trichloride
  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 = 82671-02-1
  反应条件:1.1 Reagents: Sodium Methoxide2.1 Reagents: Phosphorus Pentachloride
  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 = 82671-02-1
  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,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]
  
  109-94-4 + 108-13-4 = 82671-02-1
  反应条件:1.1 Reagents: Sodium Ethoxide Solvents: Ethanol1.2 Solvents: Ethanol2.1 Reagents: Phosphorus Pentachloride
  标题:Pyridonecarboxylic Acids As Antibacterial Agents. Viii. An Alternative Synthesis Of Enoxacin Via Fluoronicotinic Acid Derivatives
  作者:Miyamoto,Teruyuki; Et Al
  参考文献:Chemical & Pharmaceutical Bulletin 日期:1987 卷标:35(6) 页码:2280-5]
  
  105-39-5 = 82671-02-1
  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,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

海关参考信息

• 2933310010-吡啶
  2926909090-其他腈基化合物
  2939800000-其他生物碱
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

专利信息

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
• ➥ Globally Harmonized System
• ➥ REACH监管