CAS: 97509-75-6; 3-Fluoropicolinonitrile

• 英文名称3-Fluoropicolinonitrile
• 中文名称3-氟甲基吡啶腈
• IUPAC名称3-fluoropicolinonitrile
• 其它别名3-氟吡啶-2-甲腈; 3-Fluoro-Pyridine-2-Carbonitrile
• CAS编号97509-75-6
• MFCD编号:MFCD06797501
• EINECS号:627-335-0
• 分子式:C6H3FN2
• 分子量:122.1
• 产品CID: 2021822
• 产品分类有机原料→分子砌块→芳杂环类化合物→吡啶类化合物

• 相似结构搜索
• InChIKey: VZFPSCNTFBJZHB-UHFFFAOYSA-N
• InChI=1S/C6H3FN2/c7-5-2-1-3-9-6(5)4-8/h1-3H…
• 计算化学: 氢键受体数2.0氢键供体数0.0可旋转键数0.0

相似化合物

物理性质

• 熔点27-30°C
• 沸点120-125 °C at 17 mmHg
• 闪点104.4°C
• 密度1.2±0.1 g/cm3
• pKa:-2.74±0.10(预测)
• PSA:36.68
• LogP:1.09238
• 折射率1.510
• 蒸汽压0.2±0.4 mmHg at 25°C
• 溶解性Chloroform (Sparingly), DMSO (Slightly)
• 敏感性常温常压下稳定，避免与强氧化剂接触。
• 外观形态白色至类白色固体
• 储存条件惰性气氛,室温
• 产品应用该化合物用作合成药品和农用化学品.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07 & GHS05;
  注释: Exclamation mark & Corrosion
• 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
  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)
  严重眼损伤 类别1
• 警示词Danger(危险)
• 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.
  H331 |吸入会中毒.
  H311 |皮肤接触会中毒.
  H301 |吞咽会中毒.
  H318 |造成严重眼损伤.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
• 危险等级6.1
• UN编号3276.0
• 危险品标志T,Xi,Xn
• 风险等级Toxic
• 包装等级Ⅲ
• 安全声明26-36/37/39-23
• 危险类别码20/21/22-36/37/38-41-37/38
• 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-Cyano-3-Fluoropyridine 主要起始原料 2-Cyano-3-Chloropyridine
• 152126-32-4 = 97509-75-6
  反应条件:1.1 Reagents: Triethylamine,Trifluoroacetic Anhydride Solvents: Tetrahydrofuran; 40 Min,< 25 °C; 10 Min,25 °C
  标题:Development Of A Scaleable Synthesis Of A 3-Aminopyrazinone Acetamide Thrombin Inhibitor
  作者:Ashwood,Michael S.; Alabaster,Ramon J.; Cottrell,Ian F.; Cowden,Cameron J.; Davies,Antony J.; Et Al
  参考文献:Organic Process Research & Development 日期:2004 卷标:8(2) 页码:192-200]
  
  7677-24-9 + 695-37-4 = 97509-75-6
  反应条件:1.1 Reagents: Triethylamine Solvents: Acetonitrile; 6.5 H,Reflux
  标题:Preparation Of Azolylmethylaminotetrahydroquinolines And Related Compounds As Chemokine Receptor Binding Agents.
  参考文献:World Intellectual Property Organization]
  
  7677-24-9 + 695-37-4 = 97509-75-6
  反应条件:1.1 Reagents: Triethylamine Solvents: Acetonitrile; Overnight,Rt -> Reflux; Reflux -> Rt
  标题:Preparation Of 6-Substituted 2,3,4,5-Tetrahydro-1H-Benzo[d]Azepines As 5-Ht2C Receptor Agonists
  参考文献:World Intellectual Property Organization]
  
  94-05-3 + 372-47-4 = 97509-75-6
  反应条件:1.1 Reagents: Tert-Butyl Peroxide,Potassium Iodide Catalysts: Cupric Acetate Solvents: Dimethylformamide; 24 H,135 °C
  标题:Copper-Catalyzed Cyanation Of Heterocycle C-H Bonds With Ethyl(Ethoxymethylene)Cyanoacetate As A Cyanating Agent And Its Mechanism
  作者:Li,Ze-Lin; Sun,Kang-Kang; Cai,Chun
  参考文献:Organic Chemistry Frontiers 日期:2018 卷标:5(11) 页码:1848-1853]
  
  51315-07-2 = 97509-75-6
  反应条件:1.1 Reagents: Tetrabutylammonium Fluoride Solvents: Dimethylformamide,Tetrahydrofuran; 30 Min,23 °C1.2 Reagents: Sodium Chloride Solvents: Water; 23 °C
  标题:Tetrabutylammonium Salt Induced Denitration Of Nitropyridines: Synthesis Of Fluoro-,Hydroxy-,And Methoxypyridines
  作者:Kuduk,Scott D.; Dipardo,Robert M.; Bock,Mark G.
  参考文献:Organic Letters 日期:2005 卷标:7(4) 页码:577-579]
  
  372-47-4 = 97509-75-6
  反应条件:1.1 Reagents: Lithium Tert-Butoxide,Iodine Catalysts: 1,10-Phenanthroline,Cuprous Cyanide Solvents: 1,4-Dioxane; 12 H,100 °C
  标题:Copper-Catalyzed Cyanation Of Heterocycle Carbon-Hydrogen Bonds
  作者:Do,Hien-Quang; Daugulis,Olafs
  参考文献:Organic Letters 日期:2010 卷标:12(11) 页码:2517-2519]
  
  38180-46-0 = 97509-75-6
  反应条件:1.1 Reagents: Potassium Fluoride Solvents: N-Methyl-2-Pyrrolidone; 18 H,Reflux
  标题:Preparation Of 3-(2-Pyridyl)-5-Phenyl Substituted 1,2,4-Oxadiazoles,1,2-Oxazoles And 1,2,4-Triazoles As Metabotropic Glutamate Receptor Antagonists
  参考文献:World Intellectual Property Organization]
  
  152126-32-4 = 97509-75-6
  反应条件:1.1 Reagents: Triethylamine Solvents: Tetrahydrofuran; Rt -> 5 °C1.2 Reagents: Trifluoroacetic Anhydride Solvents: Tetrahydrofuran; 30 Min,0 - 5 °C; 2.5 H,5 - 10 °C1.3 Reagents: Sodium Carbonate Solvents: Water; 5 - 10 °C
  标题:Process For The Preparation Of Pyrazinone Thrombin Inhibitor And Its Intermediates
  参考文献:United States]
  
  7677-24-9 + 695-37-4 = 97509-75-6
  反应条件:1.1 Solvents: Dichloromethane; Rt; 10 H,Reflux; Reflux -> Rt1.2 Reagents: Sodium Bicarbonate Solvents: Water; Rt
  标题:Pyrrolotriazine Aniline Compounds Useful As Kinase Inhibitors,Particularly P38 Kinases,And Their Preparation,Pharmaceutical Compositions,And Use As Antiinflammatory Agents
  参考文献:World Intellectual Property Organization]
  
  372-47-4 = 97509-75-6
  反应条件:1.1 Reagents: Sodium Trifluoromethanesulfonate,(1-Chloroethylidene)Azanyl Methanesulfonate Solvents: Acetonitrile; 1 - 8 H,80 °C; 80 °C -> Rt1.2 Reagents: Sodium Carbonate Solvents: Dimethylformamide; 1 H,Rt
  标题:A Bifunctional Reagent Designed For The Mild,Nucleophilic Functionalization Of Pyridines
  作者:Fier,Patrick S.
  参考文献:Journal Of The American Chemical Society 日期:2017 卷标:139(28) 页码:9499-9502]
  
  695-37-4 = 97509-75-6
  反应条件:1.1 Reagents: Chlorotrimethylsilane,Triethylamine Solvents: Dimethylformamide; Rt -> 80 °C; 48 H,80 °C; Overnight,80 °C -> Rt
  标题:Preparation Of 3-Fluoro-2-Pyridylmethyl-3-(2,2-Difluoro-2-(2-Pyridyl)Ethylamino)-6-Chloropyrazi-2-One-1-Acetamide And Related Compounds
  参考文献:World Intellectual Property Organization]
  
  7677-24-9 + 695-37-4 = 97509-75-6
  反应条件:1.1 Reagents: Triethylamine Solvents: Acetonitrile; Overnight,Reflux
  标题:Preparation Of Fused Succinimides As Modulators Of Nuclear Hormone Receptor Function
  参考文献:United States]
  
  38180-46-0 = 97509-75-6
  反应条件:1.1 Reagents: Potassium Fluoride Solvents: N-Methyl-2-Pyrrolidone; 18 H,Reflux
  标题:Heteropolycyclic Compounds,Particularly Pyridyl- And Phenyl-Substituted 1,2,4-Oxadiazoles And Analogs,And Their Use As Metabotropic Glutamate Receptor Antagonists For Inhibiting Neuronal Damage
  参考文献:United States]
  
  7677-24-9 + 695-37-4 = 97509-75-6
  反应条件:1.1 Reagents: Triethylamine Solvents: Acetonitrile; Overnight,Reflux
  标题:Preparation Of Substituted Arylamine Derivatives,Particularly 2-Aminonicotinamides,As Antitumor Agents
  参考文献:United States]
  
  7677-24-9 + 695-37-4 = 97509-75-6
  反应条件:1.1 Solvents: Dichloromethane; 16 H,Reflux; Reflux -> Rt1.2 Reagents: Sodium Bicarbonate Solvents: Water
  标题:Preparation Of Phenylglycinamide And Pyridylglycinamide Derivatives Useful As Anticoagulants
  参考文献:World Intellectual Property Organization]
  
  7677-24-9 + 695-37-4 = 97509-75-6
  反应条件:1.1 Reagents: Triethylamine Solvents: Acetonitrile; Overnight,Reflux
  标题:Preparation Of 2-Aminopyridine-3-Carboxamides As Remedies For Angiogenesis Mediated Diseases
  参考文献:United States]
  
  7677-24-9 + 695-37-4 = 97509-75-6
  反应条件:1.1 Reagents: Triethylamine Solvents: Acetonitrile; Overnight,Reflux
  标题:Preparation Of Amino Heteroaryl Amides For Use In Pharmaceutical Compositions For The Treatment Of Angiogenesis Mediated Diseases Such As Cancer
  参考文献:United States]
  
  7677-24-9 + 695-37-4 = 97509-75-6
  反应条件:1.1 Reagents: Triethylamine Solvents: Acetonitrile; Overnight,Reflux
  标题:Preparation Of Substituted Arylamine Derivatives As Antitumor Agents
  参考文献:United States

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