CAS: 947533-45-1; 2-Bromo-5-Fluoropyrimidine

• 英文名称2-Bromo-5-Fluoropyrimidine
• 中文名称2-溴-5-氟嘧啶
• IUPAC名称2-bromo-5-fluoropyrimidine
• CAS编号947533-45-1
• MFCD编号:MFCD09835164
• EINECS号:690-473-5
• 分子式:C4H2BrFN2
• 分子量:176.97
• 产品CID: 1999810
• 产品分类有机原料→分子砌块→芳杂环类化合物→嘧啶类化合物

• 相似结构搜索
• InChIKey: ANSMRNCOBLTNBO-UHFFFAOYSA-N
• InChI=1S/C4H2BrFN2/c5-4-7-1-3(6)2-8-4/h1-2H…
• 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

• 沸点255°C at 760 mmHg
• 闪点108°C
• 密度1.8±0.1 g/cm3
• pKa:-2.67±0.22(预测)
• PSA:25.78
• LogP:1.3782
• 折射率1.538
• 蒸汽压0.0±0.5 mmHg at 25°C
• 外观形态浅棕色/棕色晶体
• 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(吸入)
  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.
  H332 |吸入有害.
  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Xn

欧盟法规

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合成工艺路线路线简述

• 62802-42-0 = 947533-45-1
  反应条件:1.1 Reagents: Hydrogen Bromide Solvents: Acetic Acid; 16 H,40 °C1.2 Reagents: Sodium Carbonate Solvents: Water; Ph 9
  标题:Arylpyridine Derivatives As Inhibitors Of Histone Deacetylase And Their Preparation
  参考文献:World Intellectual Property Organization]
  
  = 947533-45-1 [标题:Reaction Conditions
  标题:Cyclopentapyrrole Orexin Receptor Agonists
  参考文献:World Intellectual Property Organization]
  
  62802-42-0 = 947533-45-1
  反应条件:1.1 Reagents: Bromotrimethylsilane Solvents: Propionitrile; 1 H,150 °C
  标题:Quinazoline Derivatives As Jak Kinase Modulators And Their Preparation And Use For The Treatment Of Jak-Mediated Diseases
  参考文献:United States]
  
  62802-42-0 = 947533-45-1
  反应条件:1.1 Reagents: Bromotrimethylsilane Solvents: 1,2-Dimethoxyethane; 1.5 H,150 °C
  标题:Preparation Of Thio-Linked Galactoside Disaccharides As Inhibitor Of Galectins
  参考文献:World Intellectual Property Organization]
  
  = 947533-45-1 [标题:Reaction Conditions
  标题:Preparation Of Pyridine And Triazole Derivatives As Orexin 1 Receptor Antagonists For The Treatment And Prevention Of Neurological,Psychiatric And Other Orexin Receptor-Mediated Disorders
  参考文献:World Intellectual Property Organization

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