CAS: 89891-65-6; 7-Bromo-2-Chloroquinoxaline

• 英文名称7-Bromo-2-Chloroquinoxaline
• 中文名称7-溴-2-氯喹喔啉
• IUPAC名称7-bromo-2-chloroquinoxaline
• 其它别名Erdafitinib中间体; 2-Chloro-7-Bromo-Quinoxaline
• CAS编号89891-65-6
• MFCD编号:MFCD02955309
• EINECS号:853-902-9
• 分子式:C8H4BrClN2
• 分子量:243.49
• 产品CID: 1928968
• 产品分类有机原料→分子砌块→芳杂环类化合物→喹噁啉类化合物

• 相似结构搜索
• InChIKey: AZUMKBQKUXTHCM-UHFFFAOYSA-N
• InChI=1S/C8H4BrClN2/c9-5-1-2-6-7(3-5)12-8(10)4-11-6/h1-4H…
• 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146°C
• 沸点312.5±37.0 °C at 760 mmHg
• 闪点142.8±26.5 °C
• 密度1.8±0.1 g/cm3
• pKa:-2.50±0.30(预测)
• PSA:25.78
• LogP:3.0457
• 折射率1.691
• 蒸汽压0.0±0.6 mmHg at 25°C
• 外观形态类白色至淡棕色固体
• 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作有机中间体的杂环衍生物.

MSDS等安全信息

• GHS符号GHS07
• 危险类别急性毒性 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2A
• 警示词Warning
• 危险描述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.
• 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Xn
• 危险类别码22

欧盟法规

上下游产品

合成工艺路线路线简述

• 82031-32-1 = 89891-65-6
  反应条件:1.1 Reagents: Phosphorus Oxychloride Solvents: Toluene; Overnight,Rt
  标题:Phospshoinositide 3-Kinase (Pi3K)/mammalian Target Of Rapamycin (Mtor) Dual Inhibitors: Discovery And Structure-Activity Relationships Of A Series Of Quinoline And Quinoxaline Derivatives
  作者:Nishimura,Nobuko; Siegmund,Aaron; Liu,Longbin; Yang,Kevin; Bryan,Marian C.; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2011 卷标:54(13) 页码:4735-4751]
  
  82031-32-1 = 89891-65-6
  反应条件:1.1 Reagents: Phosphorus Oxychloride; 2 H,100 °C; 100 °C -> Rt1.2 Solvents: Water; 25 - 35 °C
  标题:New And Convergent Synthesis Of Erdafitinib
  作者:Xu,Zhiyong; Wang,Han; Jiang,Shun; Lu,Sheng; Mao,Yongjun
  参考文献:Journal Of Heterocyclic Chemistry 日期:2022 卷标:59(12) 页码:2093-2097]
  
  82031-32-1 = 89891-65-6
  反应条件:1.1 Reagents: Phosphorus Oxychloride; Rt; 2 H,100 °C1.2 Reagents: Potassium Carbonate Solvents: Water; Rt
  标题:Design And Synthesis Of Fibroblast Growth Factor Receptor (Fgfr) And Histone Deacetylase (Hdac) Dual Inhibitors For The Treatment Of Cancer
  作者:Wan,Guoquan; Feng,Zhanzhan; Zhang,Qiangsheng; Li,Xiao; Ran,Kai; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2022 卷标:65(24) 页码:16541-16569]
  
  82031-32-1 = 89891-65-6
  反应条件:1.1 Reagents: Phosphorus Oxychloride; Rt; Rt -> 100 °C; 6 H,100 °C; 100 °C -> Rt1.2 Reagents: Sodium Bicarbonate Solvents: Ethyl Acetate; Cooled
  标题:Discovery And Evaluation Of 3-Quinoxalin Urea Derivatives As Potent,Selective,And Orally Available Atm Inhibitors Combined With Chemotherapy For The Treatment Of Cancer Via Goal-Oriented Molecule Generation And Virtual Screening
  作者:Deng,Dexin; Yang,Yingxue; Zou,Yurong; Liu,Kongjun; Zhang,Chufeng; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2023 卷标:66(14) 页码:9495-9518

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