| 109621-61-6

• CAS: 109621-61-6
• 化学式: ClFN
• 分子量: 68.4581
• InChiKey: FETAPPNPCUSSCP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.63
• 重原子数：
  3.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  14.1
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  氢气 、 以 gaseous matrix 为溶剂， 生成 盐酸 、 一氟化氮 、 nitrene chloride 、 氢氟酸
  参考文献：
  名称：

  原子氢+ chlorofluoroamine（H + NFCl2）和H + NFCl反应的化学发光的红外研究

  摘要：

  The primary and secondary reactions in the H + NFCl2 system have been studied by infrared chemiluminescence in a fast flow reactor at 300 K. The primary reaction is exclusively Cl atom abstraction to give HCl(v=0-4) + NFCl with a total rate constant of (1.9 +/- 0.4) x 10(-11) cm(3) molecule(-1) s(-1) and an inverted vibrational distribution of P-0-P-4 = 9:20:32:27:12. The rate constant for HF formation from H + NFCl was estimated as (0.9 +/- 0.4) X 10(-11) cm(3) molecule(-1) s(-1), and the HF vibrational distribution, P-0-P-3 = 42:34: 18:6, is characteristic of unimolecular HF elimination reactions. These data for the HF + NCl(a) product channel from the H + NFCl reaction are compared to earlier studies, which provided information about the HCl + NF(a) product channel. The latter seems to be the more important, and the total rate constant for H + NFCl is about 4 x 10(-11) cm(3) molecule(-1) s(-1) at 300 K. The dynamics of the H + NFCl reaction are discussed and compared to the H + NF2 reaction. A small number of experiments also were done with the H + NF2Cl reaction system.

  DOI：

  10.1021/j100053a024
• 作为产物：
  描述：

  氢气 、 二氯氟胺 以 gaseous matrix 为溶剂， 生成 盐酸 、
  参考文献：
  名称：

  原子氢+ chlorofluoroamine（H + NFCl2）和H + NFCl反应的化学发光的红外研究

  摘要：

  The primary and secondary reactions in the H + NFCl2 system have been studied by infrared chemiluminescence in a fast flow reactor at 300 K. The primary reaction is exclusively Cl atom abstraction to give HCl(v=0-4) + NFCl with a total rate constant of (1.9 +/- 0.4) x 10(-11) cm(3) molecule(-1) s(-1) and an inverted vibrational distribution of P-0-P-4 = 9:20:32:27:12. The rate constant for HF formation from H + NFCl was estimated as (0.9 +/- 0.4) X 10(-11) cm(3) molecule(-1) s(-1), and the HF vibrational distribution, P-0-P-3 = 42:34: 18:6, is characteristic of unimolecular HF elimination reactions. These data for the HF + NCl(a) product channel from the H + NFCl reaction are compared to earlier studies, which provided information about the HCl + NF(a) product channel. The latter seems to be the more important, and the total rate constant for H + NFCl is about 4 x 10(-11) cm(3) molecule(-1) s(-1) at 300 K. The dynamics of the H + NFCl reaction are discussed and compared to the H + NF2 reaction. A small number of experiments also were done with the H + NF2Cl reaction system.

  DOI：

  10.1021/j100053a024