CAS: 874676-81-0; 5-Chloro-2-Iodopyrimidine

• 英文名称5-Chloro-2-Iodopyrimidine
• 中文名称5-氯-2-碘嘧啶
• IUPAC名称5-chloro-2-iodopyrimidine
• 其它别名5-Chloro-2-Iodopyrimidine; 5-Chloro-2-Iodopyrimidine ; Pyrimidine, 5-Chloro-2-Iodo-; 5-Chloro-2-Iodopyrimidine,
• CAS编号874676-81-0
• MFCD编号:MFCD08062390
• EINECS号:860-698-5
• 分子式:C4H2ClIN2
• 分子量:240.43
• 产品CID: 1881956
• 产品分类医药中间体 → 嘧啶类化合物

• 相似结构搜索
• InChIKey: BWDLBDLGVMLSCS-UHFFFAOYSA-N
• InChI=1S/C4H2ClIN2/c5-3-1-7-4(6)8-2-3/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

物理性质

• 沸点316.6±34.0 °C at 760 mmHg
• 闪点145.3±25.7 °C
• 密度2.2±0.1 g/cm3
• pKa:-2.56±0.22(预测)
• PSA:25.78
• LogP:1.96
• 折射率1.653
• 蒸汽压0.0±0.7 mmHg at 25°C
• 溶解性Slightly Soluble In Water.
• 敏感性光敏感
• 外观形态白色粉末
• 储存条件请置于阴暗处, 惰性气氛中,冷冻保存, 低于 -20°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)
  急性毒性 类别4(吸入)
  急性毒性 类别4(经皮)
  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(警告)
• 危险描述H302 |吞咽有害.
  H332 |吸入有害.
  H312 |皮肤接触有害.
  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-P280a-P304+P340-P305+P351+P338-P405-P501a
• UN编号NONH for all modes of transport
• 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

• 22536-67-0 = 874676-81-0
  反应条件:1.1 Reagents: Hydrogen Iodide Solvents: Water; 4 H,0 °C1.2 Reagents: Potassium Carbonate Solvents: Water
  标题:Discovery Of Bi 207524,An Indole Diamide Ns5B Thumb Pocket 1 Inhibitor With Improved Potency For The Potential Treatment Of Chronic Hepatitis C Virus Infection
  作者:Beaulieu,Pierre L.; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2014 卷标:57(23) 页码:10130-10143]
  
  54326-16-8 = 874676-81-0
  反应条件:1.1 Reagents: Phosphorus Oxychloride Solvents: N,N-Dimethylaniline; Rt -> 120 °C; 1 H,120 °C1.2 Reagents: Water; Cooled2.1 Reagents: Hydrogen Iodide Solvents: Water; 4 H,0 °C2.2 Reagents: Potassium Carbonate Solvents: Water
  标题:Discovery Of Bi 207524,An Indole Diamide Ns5B Thumb Pocket 1 Inhibitor With Improved Potency For The Potential Treatment Of Chronic Hepatitis C Virus Infection
  作者:Beaulieu,Pierre L.; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2014 卷标:57(23) 页码:10130-10143]
  
  557-01-7 = 874676-81-0
  反应条件:1.1 Reagents: Chlorosuccinimide Solvents: Acetic Acid; 120 °C; 5 Min,120 °C2.1 Reagents: Phosphorus Oxychloride Solvents: N,N-Dimethylaniline; Rt -> 120 °C; 1 H,120 °C2.2 Reagents: Water; Cooled3.1 Reagents: Hydrogen Iodide Solvents: Water; 4 H,0 °C3.2 Reagents: Potassium Carbonate Solvents: Water
  标题:Discovery Of Bi 207524,An Indole Diamide Ns5B Thumb Pocket 1 Inhibitor With Improved Potency For The Potential Treatment Of Chronic Hepatitis C Virus Infection
  作者:Beaulieu,Pierre L.; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2014 卷标:57(23) 页码:10130-10143]
  
  38353-09-2 = 874676-81-0
  反应条件:1.1 Reagents: Sulfuric Acid Solvents: Water; Rt; 30 Min,Rt1.2 Reagents: Barium Hydroxide Solvents: Water; 30 Min,Rt2.1 Reagents: Chlorosuccinimide Solvents: Acetic Acid; 120 °C; 5 Min,120 °C3.1 Reagents: Phosphorus Oxychloride Solvents: N,N-Dimethylaniline; Rt -> 120 °C; 1 H,120 °C3.2 Reagents: Water; Cooled4.1 Reagents: Hydrogen Iodide Solvents: Water; 4 H,0 °C4.2 Reagents: Potassium Carbonate Solvents: Water
  标题:Discovery Of Bi 207524,An Indole Diamide Ns5B Thumb Pocket 1 Inhibitor With Improved Potency For The Potential Treatment Of Chronic Hepatitis C Virus Infection
  作者:Beaulieu,Pierre L.; Et Al
  参考文献:Journal Of Medicinal Chemistry 日期:2014 卷标:57(23) 页码:10130-10143

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