1,3-二溴-2,4,6-三硝基苯 | 13506-78-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1,3-二溴-2,4,6-三硝基苯
• 英文名称: 1,3-dibromo-2,4,6-trinitrobenzene
• 英文别名: 2,4-Dibrom-1,3,5-trinitro-benzol；2,4-dibromo-1,3,5-trinitrobenzene
• CAS: 13506-78-0
• 化学式: C₆HBr₂N₃O₆
• 分子量: 370.898
• InChiKey: WTHRTSHMOCVSMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  138
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 海关编码：
  2904909090

反应信息

• 作为反应物：
  描述：

  1,3-二溴-2,4,6-三硝基苯 在 乙醇 、 alkaline solution 、 氨 作用下， 生成 2，4，6-三硝基间苯二酚，收敛酸
  参考文献：
  名称：

  Koerner; Contardi, Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, 1908, vol. <5> 17 I, p. 473

  摘要：

  DOI：
• 作为产物：
  描述：

  4-溴-3-硝基苯胺 在 sodium hypobromide 、 硫酸 、 硝酸 、 溶剂黄146 作用下， 生成 1,3-二溴-2,4,6-三硝基苯
  参考文献：
  名称：

  Koerner; Contardi, Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, 1908, vol. <5> 17 I, p. 473

  摘要：

  DOI：

文献信息

• Chloro- and bromo-demethoxylation of methoxypolynitroaryl systems
  作者：Anthony J. Bellamy、P.Nick Hudson

  DOI：10.1016/0040-4020(96)00201-3

  日期：1996.4

  Various reagents for effecting halogenodemethoxylation of methoxy substituted polynitro-phenyl and -biphenyl systems have been investigated, and the preferred procedures for achieving chloro- and bromo-demethoxylation in high yield have been identified.

  已经研究了用于实现甲氧基取代的多硝基苯基和-联苯基系统的卤代甲氧基化的各种试剂，并且已经确定了以高收率实现氯-和溴-脱甲氧基化的优选方法。
• Thermal Stability Studies on a Homologous Series of Nitroarenes
  作者：Jimmie C. Oxley、James L. Smith、Hong Ye、Robert L. McKenney、Paul R. Bolduc

  DOI：10.1021/j100023a043

  日期：1995.6

  The thermal stabilities of a number of nitroarenes were examined in solution and in condensed phase. In general, increasing the number of nitro groups decreased thermal stability. Changing the substituent on 1-X-2,4,6-trinitrobenzene from X = H to NH2 to CH3 to OH accelerated decomposition; this effect was attributed to increased ease of intramolecular proton transfer to an ortho nitro group, thus weakening the carbon-nitrogen bond. In solution, the effect of increasing substitution from n = 1 to n = 3 on X(n)(NO2)(3)C6H3-n was uniformly that of decreasing the thermal stability of the species. However, in condensed phase, results suggested that crystal habit may be more important than molecular structure; for X = Br, CH3, and NH2, the more substituted species was the more stable.
• Synthesis of polynitrobenzenes. Oxidation of polynitroanilines and their N-hydroxy, N-methoxy, and N-acetyl derivatives
  作者：Ronald L. Atkins、Arnold T. Nielsen、Cynthia Bergens、William S. Wilson

  DOI：10.1021/jo00177a023

  日期：1984.2
• Buck,P.; Koebrich,G., Chemische Berichte, 1970, vol. 103, p. 1420 - 1430
  作者：Buck,P.、Koebrich,G.

  DOI：——

  日期：——
• Jackson; Earle, American Chemical Journal, 1901, vol. 26, p. 53
  作者：Jackson、Earle

  DOI：——

  日期：——