monochlorocyanamide | 349652-61-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: monochlorocyanamide
• 英文别名: N-chlorocyanamide；chlorocyanamide
• CAS: 349652-61-5
• 化学式: CHClN₂
• 分子量: 76.4853
• InChiKey: XMRHKFXWIFRUKM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 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：
  35.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  cyanonitrene 在 盐酸 作用下， 以 solid matrix 为溶剂， 生成 monochlorocyanamide
  参考文献：
  名称：

  Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: C: MVol.D3, 9.2, page 294 - 294

  摘要：

  DOI：

文献信息

• Matrix‐Isolation Study of the Reaction of Carbon Atoms with HCl. The Infrared Spectrum of the Free Radical HCCl
  作者：Marilyn E. Jacox、Dolphus E. Milligan

  DOI：10.1063/1.1712143

  日期：1967.9

  The infrared spectrum of samples of cyanogen azide plus hydrogen chloride isolated in an argon or a nitrogen matrix at 14°K and subjected to photolyzing radiation under conditions previously shown to lead to the production of carbon atoms includes features at 815 and 1201 cm−1 which may be assigned to the free radical HCCl. 13C- and D-substitution experiments are consistent with this identification. A band system extending between about 7500 and 5600 Å corresponds to the band system previously reported for HCCl in the gas phase. These observations confirm the production of HCCl in the present experiments and indicate that the lower state of the transition observed for HCCl in the gas-phase studies is the ground state. The force constants and thermodynamic properties of HCCl have been estimated. Evidence is presented for the reaction of NCN, a photolytic intermediate in the production of carbon atoms from cyanogen azide, with HCl to produce an incompletely characterized species, probably either monochlorocyanamide or monochlorocarbodi-imide. HCCl reacts with HCl with little or no activation energy, leading to the stabilization of CH2Cl2.