2,6-dinitro-4-trifluoromethyl-2',6'-dinitro-4'-<(trifluoromethyl)azo>benzene | 69145-34-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 偶氮苯
• 英文名称: 2,6-dinitro-4-trifluoromethyl-2',6'-dinitro-4'-<(trifluoromethyl)azo>benzene
• 英文别名: Bis[2,6-dinitro-4-(trifluoromethyl)phenyl]diazene；bis[2,6-dinitro-4-(trifluoromethyl)phenyl]diazene
• CAS: 69145-34-2
• 化学式: C₁₄H₄F₆N₆O₈
• 分子量: 498.212
• InChiKey: TUXSZXQXXYSVQX-UHFFFAOYSA-N

物化性质

• 沸点：
  552.9±50.0 °C(Predicted)
• 密度：
  1.91±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  34
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  208
• 氢给体数：
  0
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  氟乐灵 以 甲醇 、 水 为溶剂， 生成 3-硝基-5-(三氟甲基)苯-1,2-二胺 、 4-氨基-3,5-二硝基三氟甲苯 、 3-硝基-N2-丙基-5-(三氟甲基)-1,2-苯二胺 、 2,6-二硝基-N-丙基-4-(三氟甲基)苯胺 、 2,6-dinitro-4-trifluoromethyl-2',6'-dinitro-4'-<(trifluoromethyl)azo>benzene 、 2-乙基-4-硝基-6-(三氟甲基)-1H-苯并咪唑
  参考文献：
  名称：

  19F-NMR as an analytical tool for fluorinated agrochemical research.

  摘要：

  F-19 NMR was utilized to monitor the photodegradation of trifluralin directly in NMR tubes without extraction, cleanup, concentration, or chromatographic separation. Dissipation curves were generated for the parent pesticide and degradation products, and the major products identified by addition of authentic standards were alpha,alpha,alpha-trifluoro-2,6-dinitro-N-propyl-p-toluidine (II), alpha,alpha,alpha- trifluoro-2,6-dinitro-p-toluidine (III), and 2-ethyl-7-nitro-5-(trifluoromethyl)benzimidazole (VII). Numerous peaks were observed in the spectra that may represent labile intermediates not generally observed with other analytical techniques.

  DOI：

  10.1021/jf00055a017

文献信息

• 19F-NMR as an analytical tool for fluorinated agrochemical research.
  作者：Scott A. Mabury、Donald G. Crosby

  DOI：10.1021/jf00055a017

  日期：1995.7

  F-19 NMR was utilized to monitor the photodegradation of trifluralin directly in NMR tubes without extraction, cleanup, concentration, or chromatographic separation. Dissipation curves were generated for the parent pesticide and degradation products, and the major products identified by addition of authentic standards were alpha,alpha,alpha-trifluoro-2,6-dinitro-N-propyl-p-toluidine (II), alpha,alpha,alpha- trifluoro-2,6-dinitro-p-toluidine (III), and 2-ethyl-7-nitro-5-(trifluoromethyl)benzimidazole (VII). Numerous peaks were observed in the spectra that may represent labile intermediates not generally observed with other analytical techniques.