CAS: 952664-69-6; 2-Bromo-5-Fluoro-4-Nitroaniline

• 英文名称2-Bromo-5-Fluoro-4-Nitroaniline
• 中文名称2-溴-5-氟-4-硝基苯胺
• IUPAC名称2-bromo-5-fluoro-4-nitroaniline
• 其它别名2-溴-4-硝基-5-氟苯胺; Benzenamine, 2-Bromo-5-Fluoro-4-Nitro-2
• CAS编号952664-69-6
• MFCD编号:MFCD22381005
• EINECS号:963-732-8
• 分子式:C6H4BrFN2O2
• 分子量:235.01
• 产品CID: 2005726
• 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: PKDUOURYTVRBLI-UHFFFAOYSA-N
• InChI=1S/C6H4BrFN2O2/c7-3-1-6(10(11)12)4(8)2-5(3)9/h1-2H,9H2…
• 计算化学: 氢键受体数3.0氢键供体数1可旋转键数1

物理性质

• 沸点364.5±37.0°C at 760 mmHg
• 闪点174.3±26.5°C
• 密度1.896±0.06 g/cm3(预测)
• pKa:-2.19±0.14(预测)
• PSA:69.16
• LogP:2.0786
• 外观形态淡黄色至黄色固体
• 储存条件在惰性气体(氮气或氩气)下 2–8 °C
• 产品应用该化合物用于治疗6岁及6岁以上的病人的囊性纤维化(CF)混合物.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07 & GHS08;
  注释: Exclamation mark & Health hazard
• 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
  特定目标器官毒性-重复接触 类别2
  皮肤腐蚀/刺激 类别2
  严重眼刺激 类别2
  水生慢性毒性 类别3
• 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.
  H373 |长期或反复接触可能损害器官.
  H315 |造成皮肤刺激.
  H319 |造成严重眼刺激.
  H412 |对水生生物有害并具有长期持续影响.
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

欧盟法规

上下游产品

合成工艺路线路线简述

• 2369-13-3 = 952664-69-6
  反应条件:1.1 Reagents: Bromine Solvents: Acetic Acid,Chloroform; 0 °C; 2 H,Rt1.2 Reagents: Sodium Hydroxide Solvents: Water; Ph 8 - 9,Cooled
  标题:Preparation Of Acylaminoindole Compounds As Modulators Of Atp-Binding Cassette Transporters
  参考文献:United States]
  
  2369-13-3 = 952664-69-6
  反应条件:1.1 Reagents: Acetic Acid,Bromine Solvents: Chloroform; 0 °C; 2 H,Rt1.2 Reagents: Sodium Hydroxide Solvents: Water; Ph 8 - 9,Cooled
  标题:Preparation Of Indolyl Cycloalkylcarboxamides As Modulators Of Atp-Binding Cassette Transporters For Use As Drugs And Biological Tools
  参考文献:World Intellectual Property Organization]
  
  2369-13-3 = 952664-69-6
  反应条件:1.1 Reagents: Bromine Solvents: Acetic Acid,Chloroform; 0 °C; 2 H,Rt; Cooled1.2 Reagents: Sodium Hydroxide Solvents: Water; Ph 8 - 9,Cooled
  标题:Indolyl Cycloalkylcarboxamide Compounds As Modulators Of Atp-Binding Cassette Transporters And Their Preparation,Pharmaceutical Compositions And Use In The Treatment Of Diseases
  参考文献:United States]
  
  2369-13-3 = 952664-69-6
  反应条件:1.1 Reagents: Acetic Acid,Bromine Solvents: Chloroform; 20 Min,0 °C; 2 H,Rt1.2 Reagents: Water; Cooled1.3 Reagents: Sodium Hydroxide Solvents: Water; Ph 9
  标题:Preparation Of Cyclopropanecarboxamide Modulators Of Cystic Fibrosis Transmembrane Conductance Regulator
  参考文献:World Intellectual Property Organization]
  
  2369-13-3 = 952664-69-6
  反应条件:1.1 Reagents: N-Bromosuccinimide Solvents: Ethyl Acetate; 22 °C; 22 °C
  标题:Oral Compositions Of (R)-1-(2,2-Difluorobenzo[d][1,3]Dioxol-5-Yl)-N-(1-(2,3-Dihydroxypropyl)-6-Fluoro-2-(1-Hydroxy-2-Methylpropan-2-Yl)-1H-Indol-5-Yl)Cyclopropanecarboxamide For Treatment Of Cystic Fibrosis
  参考文献:World Intellectual Property Organization]
  
  2369-13-3 = 952664-69-6
  反应条件:1.1 Reagents: N-Bromosuccinimide Solvents: Ethyl Acetate; 22 °C
  标题:Preparation Of Cycloalkylcarboxamidoindole Compounds For Treating Cftr Mediated Diseases
  参考文献:World Intellectual Property Organization]
  
  2369-13-3 = 952664-69-6
  反应条件:1.1 Reagents: N-Bromosuccinimide Solvents: Ethyl Acetate; 22 °C
  标题:Preparation Of N-Substituted 4-Oxo-1,4-Dihydroquinoline-3-Carboxamides And 1-Substituted Cyclopropanecarboxamides As Modulators Of Cystic Fibrosis Transmembrane Conductance Regulator
  参考文献:United States]
  
  2416684-80-3 = 952664-69-6
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Water; 0.5 H,40 °C
  标题:Synthesis Method And Intermediate Of 2-Bromo-5-Fluoro-4-Nitroaniline
  参考文献:China]
  
  2416684-80-3 = 952664-69-6
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Water; 3 H,Rt -> 100 °C
  标题:Preparation Of 2-Bromo-5-Fluoro-4-Nitroaniline
  参考文献:China]
  
  2369-13-3 = 952664-69-6
  反应条件:1.1 Reagents: N-Bromosuccinimide Solvents: Ethyl Acetate; 22 °C
  标题:Method For Preparation Of Quinolinone Carboxamides,Indole Carboxamides And Pharmaceutical Compositions Containing Them For The Treatment Of Cystic Fibrosis Transmembrane Conductance Regulator Mediated Diseases
  参考文献:World Intellectual Property Organization]
  
  2369-13-3 = 952664-69-6
  反应条件:1.1 Reagents: Lumacaftor Solvents: Ethyl Acetate; 22 °C
  标题:Pharmaceutical Compositions For The Treatment Of Cftr-Mediated Disorders
  参考文献:World Intellectual Property Organization]
  
  2369-13-3 = 952664-69-6
  反应条件:1.1 Reagents: N-Bromosuccinimide Solvents: Ethyl Acetate; 22 °C1.2 Solvents: Isopropanol; Overnight,Rt
  标题:Modulators Of Atp-Binding Cassette Transporters
  参考文献:United States]
  
  2369-13-3 = 952664-69-6
  反应条件:1.1 Reagents: N-Bromosuccinimide Solvents: Ethyl Acetate; 22 °C
  标题:Formulations Of (R)-1-(2,2-Difluorobenzo[d][1,3]Dioxol-5-Yl)-N-(1-(2,3-Dihydroxypropyl)-6-Fluoro-2-(1-Hydroxy-2-Methylpropan-2-Yl)-1H-Indol-5-Yl)Cyclopropanecarboxamide For Treatment Of Cystic Fibrosis
  参考文献:World Intellectual Property Organization]
  
  2369-13-3 = 952664-69-6
  反应条件:1.1 Reagents: N-Bromosuccinimide Solvents: Ethyl Acetate; 22 °C
  标题:Pharmaceutical Compositions In The Treatment Of Cftr-Mediated Diseases Such As Cystic Fibrosis.
  参考文献:World Intellectual Property Organization]
  
  2369-13-3 = 952664-69-6
  反应条件:1.1 Reagents: N-Bromosuccinimide Solvents: Ethyl Acetate; 22 °C
  标题:Preparation Of Benzodioxolyl-N-Indolyl Cyclopropanecarboxamide Derivatives For Use As Cftr Modulators
  参考文献:World Intellectual Property Organization]
  
  2369-13-3 = 952664-69-6
  反应条件:1.1 Reagents: N-Bromosuccinimide Solvents: Ethyl Acetate
  标题:Pharmaceutical Compositions For Treatment Of Cftr-Mediated Diseases
  参考文献:World Intellectual Property Organization

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