Hydron;oxalonitrile | 76092-43-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: Hydron;oxalonitrile
• CAS: 76092-43-8
• 化学式: C₂N₂*H
• 分子量: 53.0433
• InChiKey: JMANVNJQNLATNU-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  0.15
• 重原子数：
  4
• 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：
  47.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  氰 、 氢气 以 neat (no solvent) 为溶剂， 生成 Hydron;oxalonitrile
  参考文献：
  名称：

  Millimeter‐wave laboratory detection of HNCCN⁺

  摘要：

  The ground-state rotational spectrum of protonated cyanogen, HNCCN+, has been identified following the infrared detection by Warner and Amano [J. Mol. Spectrosc. 145, 66 (1991)], using a hollow cathode discharge as production source. The rotational and centrifugal distortion constants have been determined to be 4438.010 13(71) MHz and 0.529 95(24) kHz, respectively.

  DOI：

  10.1063/1.460986

文献信息

• Experimental study of HCN+ and HNC+ ion chemistry
  作者：Simon Petrie、Colin G. Freeman、Michael Meot-Ner、Murray J. McEwan、Eldon E. Ferguson

  DOI：10.1021/ja00176a006

  日期：1990.9

  room temperature selected ion flow tube study of reactions of HCN + and HNC + . Electron impact on HCN was found to produce a mixture of HCN + and HNC + isomers. HCN + was found to be isomerized efficiently to HNC + by reaction with CO or with CO 2 , and isomerization is expected to occur for any other species M having a proton affinity PA(CN at C)

  我们报告了室温选择离子流管研究 HCN + 和 HNC + 反应的结果。发现对 HCN 的电子撞击会产生 HCN + 和 HNC + 异构体的混合物。发现 HCN + 通过与 CO 或与 CO 2 反应可有效异构化为 HNC + ，并且对于具有质子亲和力 PA(CN at C) 的任何其他物质 M 预计会发生异构化
• Millimeter‐wave laboratory detection of HNCCN⁺
  作者：T. Amano、Flavio Scappini

  DOI：10.1063/1.460986

  日期：1991.8.15

  The ground-state rotational spectrum of protonated cyanogen, HNCCN+, has been identified following the infrared detection by Warner and Amano [J. Mol. Spectrosc. 145, 66 (1991)], using a hollow cathode discharge as production source. The rotational and centrifugal distortion constants have been determined to be 4438.010 13(71) MHz and 0.529 95(24) kHz, respectively.