p-NO2C6H4HgCl(theobromine) | 146596-94-3

• 英文名称: p-NO2C6H4HgCl(theobromine)
• CAS: 146596-94-3
• 化学式: C₁₃H₁₂ClHgN₅O₄
• 分子量: 538.312
• InChiKey: OUKZFAHTJQNARP-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  p-NO2C6H4HgCl(theobromine) 以 neat (no solvent) 为溶剂， 生成 mercury(II) oxide
  参考文献：
  名称：

  摘要：

  Thermal behaviour of a number of organomercury(II) complexes of the type, p-XC6H4HgCl(L-1) (I), p-XC6H4HgCl3(L-2) (II), p-XC6H4HgL3 (III) and p-XC6H4HgL4 (IV) [L-1=isoniazid, L-2=theobromine, L-3=phenyldithiocarbamate, L-4=p-nitrophenyldithiocarbamate; X=Me, MeO, NO2] has been investigated. From TG curves, the order and activation energy of the thermal decomposition reaction have been elucidated. The variation of the activation energy has been correlated with the nature of the substituent on the phenyl ring. The heat of reaction has been elucidated from DSC or DTA studies. The fragmentation pattern has been analysed on the basis of mass spectra.

  DOI：

  10.1023/a:1011505408406
• 作为产物：
  描述：

  可可碱 、 氯-(4-硝基苯基)汞 以 N,N-二甲基甲酰胺 为溶剂， 生成 p-NO2C6H4HgCl(theobromine)
  参考文献：
  名称：

  摘要：

  Thermal behaviour of a number of organomercury(II) complexes of the type, p-XC6H4HgCl(L-1) (I), p-XC6H4HgCl3(L-2) (II), p-XC6H4HgL3 (III) and p-XC6H4HgL4 (IV) [L-1=isoniazid, L-2=theobromine, L-3=phenyldithiocarbamate, L-4=p-nitrophenyldithiocarbamate; X=Me, MeO, NO2] has been investigated. From TG curves, the order and activation energy of the thermal decomposition reaction have been elucidated. The variation of the activation energy has been correlated with the nature of the substituent on the phenyl ring. The heat of reaction has been elucidated from DSC or DTA studies. The fragmentation pattern has been analysed on the basis of mass spectra.

  DOI：

  10.1023/a:1011505408406