CAS: 946126-94-9; Methyl 2-Fluoro-3-Nitrobenzoate

• 英文名称Methyl 2-Fluoro-3-Nitrobenzoate
• 中文名称2-氟-3-硝基苯甲酸甲酯
• IUPAC名称methyl 2-fluoro-3-nitrobenzoate
• 其它别名2-氟-3-硝基苯甲醚; Methyl 2-Fluoro-3-Nitrobenzoate
• CAS编号946126-94-9
• MFCD编号:MFCD10566813
• EINECS号:689-721-5
• 分子式:C8H6FNO4
• 分子量:199.14
• 产品CID: 1997768
• 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: VEKYKLDXYNUERO-UHFFFAOYSA-N
• InChI=1S/C8H6FNO4/c1-14-8(11)5-3-2-4-6(7(5)9)10(12)13/h2-4H,1H3…
• 计算化学: 氢键受体数4.0氢键供体数0.0可旋转键数2.0

物理性质

• 熔点77-80 °C
• 沸点310.8±27.0 °C at 760 mmHg
• 闪点141.8±23.7 °C
• 密度1.4±0.1 g/cm3
• PSA:69.44
• LogP:1.5205
• 折射率1.534
• 蒸汽压0.0±0.7 mmHg at 25°C
• 溶解性Chloroform (Slightly), Methanol (Slightly)
• 外观形态类白色至淡黄色固体
• 储存条件密封, 常温干燥保存
• 产品应用该化合物用于实验室研发过程和化学生产过程.

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4(经皮)
  严重眼刺激 类别2A
• 警示词Warning(警告)
• 危险描述H332 |吸入有害.
  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.
  H312 |皮肤接触有害.
• 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

• 合成目标产物 Methyl 2-Fluoro-3-Nitrobenzoate 主要起始原料 Methanol And 2-Fluoro-3-Nitrobenzoic Acid
• 317-46-4 = 946126-94-9
  反应条件:1.1 Reagents: Oxalyl Chloride Catalysts: Dimethylformamide Solvents: Dichloromethane; Rt1.2 5 Min,Rt
  标题:From Off-To On-Target: New Braf-Inhibitor-Template-Derived Compounds Selectively Targeting Mitogen Activated Protein Kinase Kinase 4 (Mkk4)
  作者:Kloevekorn,Philip; Pfaffenrot,Bent; Juchum,Michael; Selig,Roland; Albrecht,Wolfgang; Et Al
  参考文献:European Journal Of Medicinal Chemistry 日期:2021 卷标:210]
  
  317-46-4 = 946126-94-9
  反应条件:1.1 Reagents: Oxalyl Chloride Catalysts: Dimethylformamide Solvents: Dichloromethane; Rt1.2 Rt
  标题:Preparation Of 1H-Pyrrolo[2,3-B]Pyridines As Selective Mkk4 Kinase Inhibitors For Promoting Liver Regeneration Or Reducing Or Preventing Hepatocyte Death
  参考文献:World Intellectual Property Organization]
  
  317-46-4 = 946126-94-9
  反应条件:1.1 Catalysts: Sulfuric Acid Solvents: Methanol,Water; Overnight,70 °C; 70 °C -> Rt
  标题:Preparation Of Benzenesulfonamidethiazole Derivatives And Analogs For Use As B-Raf Protein Kinase Inhibitors
  参考文献:World Intellectual Property Organization]
  
  53553-14-3 = 946126-94-9
  反应条件:1.1 Reagents: Cesium Fluoride Solvents: Dimethyl Sulfoxide; 40 Min,140 °C
  标题:Preparation Of 2-Oxo-2H-Benzopyran Derivatives And Benzo[e][1,3]Oxazine-2,4-Dione Derivatives As P27 Protein Inducers
  参考文献:World Intellectual Property Organization]
  
  317-46-4 = 946126-94-9
  反应条件:1.1 Catalysts: Sulfuric Acid Solvents: Methanol; 16 H,50 °C
  标题:Preparation Of Oxazoles And Thiazoles As Protein Kinase Inhibitors
  参考文献:World Intellectual Property Organization]
  
  53553-14-3 = 946126-94-9
  反应条件:1.1 Reagents: Cesium Fluoride Solvents: Dimethylformamide; 1 H,140 °C
  标题:Fluorinated Aniline Derivatives And Their Preparation
  参考文献:Japan]
  
  34128-16-0 = 946126-94-9
  反应条件:1.1 Reagents: Potassium Fluoride Solvents: Dimethylformamide; Rt -> 145 °C; 2 H,110 - 140 °C; 140 °C -> 50 °C1.2 15 Min,50 °C1.3 Solvents: Water; 10 Min,Rt
  标题:Process For The Preparation Of Substituted Benzoates
  参考文献:India]
  
  = 946126-94-9 [标题:Reaction Conditions
  标题:Preparation Of Coumarin Derivatives As Antitumor Agents
  参考文献:World Intellectual Property Organization]
  
  317-46-4 = 946126-94-9
  反应条件:1.1 Catalysts: Sulfuric Acid Solvents: Methanol,Water; Overnight,70 °C; 70 °C -> Rt
  标题:Preparation Of Benzene Sulfonamide Thiazole And Oxazole Compounds
  参考文献:World Intellectual Property Organization]
  
  317-46-4 = 946126-94-9
  反应条件:1.1 Reagents: Potassium Carbonate Solvents: Dimethylformamide; Rt1.2 1 H,Rt1.3 Reagents: Water
  标题:Preparation Of Thiazole Kinase Inhibitors
  参考文献:China]
  
  317-46-4 = 946126-94-9
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Methanol; 2 H,60 °C
  标题:Crystallographic Realization Of The Mathematically Predicted Densest All-Pentagon Packing Lattice By C5-Symmetric "Sticky" Fluoropentamers
  作者:Ren,Changliang; Zhou,Feng; Qin,Bo; Ye,Ruijuan; Shen,Sheng; Et Al
  参考文献:Angewandte Chemie 日期:2011 卷标:50(45) 页码:10612-10615]
  
  317-46-4 = 946126-94-9
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Methanol,Water; 2 H,60 °C
  标题:Planar Macrocyclic Fluoropentamers As Supramolecular Organogelators
  作者:Ren,Changliang; Xu,Shengyu; Xu,Jun; Chen,Hongyu; Zeng,Huaqiang
  参考文献:Organic Letters 日期:2011 卷标:13(15) 页码:3840-3843]
  
  1493-27-2 = 946126-94-9
  反应条件:1.1 Reagents: Lithium Diisopropylamide,Boric Acid (H3Bo3) Solvents: Tetrahydrofuran; Cooled; 1 H,Heated1.2 -5 °C; 3.5 H,-5 °C -> Rt; Rt -> -5 °C1.3 Reagents: Ammonium Chloride Solvents: Water; -5 °C
  标题:Green Method For Synthesis Of Key Intermediates Of Tyrosine Kinase Inhibitor
  参考文献:China]
  
  53553-14-3 = 946126-94-9
  反应条件:1.1 Reagents: Cesium Fluoride Solvents: Dimethylformamide; 1 H,140 °C
  标题:Method For Producing N-Phenyl-3-(Benzamido Or 3-Pyridylcarbonylamino)Benzamide Derivatives
  参考文献:World Intellectual Property Organization]
  
  = 946126-94-9 [标题:Reaction Conditions
  标题:Preparation Of Thiazole Sulfonamides And Oxazole Sulfonamides As Antitumor Agents
  参考文献:Costa Rica

海关参考信息

• 2906210000-苄醇
  2912110000-甲醛
  2912210000-苯甲醛
  2915110000-甲酸
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• ➥ 象形图和危险代码
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