N-cyanodibromoformaldimine | 151416-86-3

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 炔丙基型1，3-偶极有机化合物
• 英文名称: N-cyanodibromoformaldimine
• 英文别名: Dibromomethylidenecyanamide
• CAS: 151416-86-3
• 化学式: C₂Br₂N₂
• 分子量: 211.843
• InChiKey: AFHFVVYXFASOQA-UHFFFAOYSA-N

物化性质

• 沸点：
  191.8±23.0 °C(predicted)
• 密度：
  2.33±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  6
• 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：
  36.2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  norbornadiennone azine 在 溴 作用下， 生成 tetrabromoformaldazine 、 N-cyanodibromoformaldimine
  参考文献：
  名称：

  Investigations on doubly nitrogen-15 labeled isocyanogen (CNCN)

  摘要：

  The doubly nitrogen-15 labeled isotopomer CN-15CN-15 of isocyanogen (CNCN) has been prepared by a known route in three steps from [N-15(2)]hydrazine sulfate and quadricyclanone. The chemical reactivity of CN-15CN-15 has been explored. Most of the typical isonitrile reactions are too slow to compete with the polymerization of isocyanogen which starts as low as -80-degrees-C; defined products were only obtained on bromination to Br2CNCN (7) and on FVT at 750-degrees-C to give partial conversion to cyanogen (NCCN). The N-15 and C-13 NMR spectra of 1, 4, CN-15CN-15, N-15CCN-15, and [N-15(2)]7 are discussed; important aspects are the previously "missing" cyano group in CNCN which has now been identified and an unusually large C-13-N-15 coupling (1J = 48.9 Hz) in the central bond of isocyanogen.

  DOI：

  10.1021/ja00016a027