thiourea nitrate | 20716-89-6

• 分子结构分类: 有机化合物 - 有机氧化合物 - 有机含氧阴离子化合物
• 英文名称: thiourea nitrate
• 英文别名: thiourea; thiuronium nitrate；Thioharnstoff; Thiuronium-nitrat；Thiourea, nitrate；nitric acid;thiourea
• CAS: 20716-89-6
• 化学式: CH₄N₂S*HNO₃
• 分子量: 139.135
• InChiKey: PABMYGSISSUOET-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.16
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  150
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  thiourea nitrate 在 双氧水 、 硝酸 作用下， 生成 C,C'-dithioformamidinium dinitrate
  参考文献：
  名称：

  α,α'-Dithiobisformamidinium dinitrate, [(NH2)2CSSC(NH2)2][NO3]2 at 110 K

  摘要：

  DOI：

  10.1107/s0567740882008528
• 作为产物：
  描述：

  硫脲 在 硝酸 作用下， 以 水 为溶剂， 以80.6%的产率得到thiourea nitrate
  参考文献：
  名称：

  The novel usage of thiourea nitrate in aryl nitration

  摘要：

  Thiourea nitrate (TN) was easily prepared from thiourea and nitric acid to explore its use as a new nitration reagent. Nitrations of various aromatic compounds utilizing TN in concentrated sulfuric acid were studied. TN could convert aromatic compounds to the corresponding nitrated derivatives with various abnormal yields under mild conditions. The results suggested that the reaction mechanism might be different from those of traditional nitration reagents. (C) 2013 Juan Shi. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2013.09.003
• 作为试剂：
  描述：

  苯酚 在 硫酸 、 thiourea nitrate 作用下， 反应 5.0h， 生成 对硝基苯酚
  参考文献：
  名称：

  The novel usage of thiourea nitrate in aryl nitration

  摘要：

  Thiourea nitrate (TN) was easily prepared from thiourea and nitric acid to explore its use as a new nitration reagent. Nitrations of various aromatic compounds utilizing TN in concentrated sulfuric acid were studied. TN could convert aromatic compounds to the corresponding nitrated derivatives with various abnormal yields under mild conditions. The results suggested that the reaction mechanism might be different from those of traditional nitration reagents. (C) 2013 Juan Shi. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2013.09.003

文献信息

• Sen,A.B.; Gupta,S.K., Journal of the Indian Chemical Society, 1963, vol. 40, p. 578 - 584
  作者：Sen,A.B.、Gupta,S.K.

  DOI：——

  日期：——
• DWIVEDI, NIRMALA;MANDAL, R. N.;PATHAK, D. N., J. INST. CHEM. (INDIA), 60,(1988) N, C. 217-218
  作者：DWIVEDI, NIRMALA、MANDAL, R. N.、PATHAK, D. N.

  DOI：——

  日期：——
• The novel usage of thiourea nitrate in aryl nitration
  作者：Ge Meng、Mei-Lin Zheng、A-Qun Zheng、Mei Wang、Juan Shi

  DOI：10.1016/j.cclet.2013.09.003

  日期：2014.1

  Thiourea nitrate (TN) was easily prepared from thiourea and nitric acid to explore its use as a new nitration reagent. Nitrations of various aromatic compounds utilizing TN in concentrated sulfuric acid were studied. TN could convert aromatic compounds to the corresponding nitrated derivatives with various abnormal yields under mild conditions. The results suggested that the reaction mechanism might be different from those of traditional nitration reagents. (C) 2013 Juan Shi. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.
• α,α'-Dithiobisformamidinium dinitrate, [(NH2)2CSSC(NH2)2][NO3]2 at 110 K
  作者：G. B. Jameson、E. Blazsò、N. Seferiadis、H. R. Oswald

  DOI：10.1107/s0567740882008528

  日期：1982.8.15