1-nitro-4-trinitromethylbenzene | 71156-15-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-nitro-4-trinitromethylbenzene
• 英文别名: p,α,α,α-Tetranitro-toluol；Trinitro-(4-nitrophenyl)-methan；p-Nitrophenyltrinitromethane；1-nitro-4-(trinitromethyl)benzene
• CAS: 71156-15-5
• 化学式: C₇H₄N₄O₈
• 分子量: 272.131
• InChiKey: GCHZEPBMHQJISU-UHFFFAOYSA-N

物化性质

• 熔点：
  46-47 °C
• 沸点：
  353.8±42.0 °C(Predicted)
• 密度：
  1.735±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  183
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1-nitro-4-trinitromethylbenzene 、 偏二甲肼 生成 N-methyl-N-[[nitro-(4-nitrophenyl)methylidene]amino]methanamine
  参考文献：
  名称：

  Synthesis and properties of ?-C-nitrohydrazones 2. Reaction of hydrazines with trinitromethyl compounds

  摘要：

  DOI：

  10.1007/bf00963315
• 作为产物：
  描述：

  p-nitrobenzonitrile oxide 在 dinitrogen tetraoxide 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以70%的产率得到1-nitro-4-trinitromethylbenzene
  参考文献：
  名称：

  Reactions of nitrile oxides with nitrogen oxides. 1. Reactions with nitrogen tetroxide

  摘要：

  We have studied the reaction of nitrile oxides with nitrogen tetroxide. It was shown that the reaction is selective: acetonitrile oxide yields ethylnitrolic acid, alpha-oximinophenylacetonitrile oxide gives a mixture of isomers of phenylnitrofuroxan, and aromatic nitrile oxides give aryltrinitromethanes.

  DOI：

  10.1007/bf00957862

文献信息

• Eberson, Lennart; Calvert, Jane L.; Hartshorn, Michael P., Acta Chemica Scandinavica, 1994, vol. 48, # 4, p. 347 - 355
  作者：Eberson, Lennart、Calvert, Jane L.、Hartshorn, Michael P.、Robinson, Ward T.

  DOI：——

  日期：——
• Electrophilic properties of anodically generated polynitroalkyl radicals in homolytic aromatic substitution
  作者：V. A. Petrosyan、M. E. Niyazymbetov

  DOI：10.1007/bf00957428

  日期：1988.2
• Reactions of nitrile oxides with nitrogen oxides. 2. Reactions with nitrogen monoxide and nitrogen sesquioxide
  作者：O. A. Rakitin、V. A. Ogurtsov、T. I. Godovikova、L. I. Khmel'nitskii

  DOI：10.1007/bf00957863

  日期：1990.7

  We have studied the reactions of aromatic nitrile oxides with nitrogen monoxide and nitrogen sesquioxide. It was shown that nitrogen monoxide removes an oxygen atom from the nitrile oxide with formation of the corresponding nitrile and nitrogen dioxide. The reaction products with nitrogen sesquioxide are formed as a result of reactions of the nitrile oxide with nitrogen monoxide and nitrogen tetroxide.
• Reaction of N2O4 with organic compounds
  作者：L. I. Khmel'nitskii、S. S. Novikov、O. V. Lebede

  DOI：10.1007/bf00907749

  日期：1960.11
• SHVARTS I. SH.; KRAYUSHKIN M. M.; SEVOSTYANOV V. V.; YAROVENKO V. N., IZV. AN CCCP CEP. XIM., 1979, HO 5, 1069-1073,
  作者：SHVARTS I. SH.、 KRAYUSHKIN M. M.、 SEVOSTYANOV V. V.、 YAROVENKO V. N.

  DOI：——

  日期：——