2-氯-3-亚硝基吡嗪 | 105410-36-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 2-氯-3-亚硝基吡嗪
• 英文名称: 2-Chloro-3-nitroso-pyrazine
• 英文别名: 2-Chloro-3-nitrosopyrazine；2-chloro-3-nitrosopyrazine
• CAS: 105410-36-4
• 化学式: C₄H₂ClN₃O
• 分子量: 143.532
• InChiKey: UNRHWSHQBVDIIT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  55.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-氯-3-亚硝基吡嗪 在 臭氧 作用下， 以 二氯甲烷 为溶剂， 生成 2-氯-3-硝基吡嗪
  参考文献：
  名称：

  Synthesis and activity of novel nitropyrazines for use as hypoxic cell radiosensitizers

  摘要：

  A series of eight novel nitropyrazines has been prepared by oxidation of sulfoximine intermediates. The partition coefficient, one-electron reduction potential, sensitizer enhancement ratio, and chronic and acute aerobic cytotoxicity have been measured for each. Two representatives of this series were tested in the Ames test and were not found to be mutagenic.

  DOI：

  10.1021/jm00378a018
• 作为产物：
  描述：

  S,S-dimethyl-N-(3-chloropyrazin-2-yl)sulfilimine 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 0.67h， 生成 2-氯-3-亚硝基吡嗪
  参考文献：
  名称：

  Synthesis and activity of novel nitropyrazines for use as hypoxic cell radiosensitizers

  摘要：

  A series of eight novel nitropyrazines has been prepared by oxidation of sulfoximine intermediates. The partition coefficient, one-electron reduction potential, sensitizer enhancement ratio, and chronic and acute aerobic cytotoxicity have been measured for each. Two representatives of this series were tested in the Ames test and were not found to be mutagenic.

  DOI：

  10.1021/jm00378a018