2,3,4,5-Tetranitrotoluene | 117972-99-3

• 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: 2,3,4,5-Tetranitrotoluene
• 英文别名: Benzene, 1-methyl-2,3,4,5-tetranitro-；1-methyl-2,3,4,5-tetranitrobenzene
• CAS: 117972-99-3
• 化学式: C₇H₄N₄O₈
• 分子量: 272.131
• InChiKey: FXYKFNYGPRSKGV-UHFFFAOYSA-N

物化性质

• 沸点：
  514.8±45.0 °C(Predicted)
• 密度：
  1.777±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  19
• 可旋转键数：
  0
• 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

• 作为产物：
  描述：

  4-甲基-2,5-二硝基苯胺 在 硫酸 、 双氧水 、 硝酸 、 乙酸酐 作用下， 以 溶剂黄146 为溶剂， 反应 146.5h， 生成 2,3,4,5-Tetranitrotoluene
  参考文献：
  名称：

  Synthesis of Tetranitrotoluenes

  摘要：

  New synthetic routes to the three isomeric tetranitrotoluenes 1-3 are described, including the previously unreported 2,3,4,5-tetranitrotoluene (1). Methods include peroxydisulfuric acid oxidation of trinitrotoluidines and hypophosphorous acid reduction of diazonium salts derived from tetranitrotoluidines. Synthesis of selected trinitrotoluidine precursors is also discussed.

  DOI：

  10.1021/jo00086a020

文献信息

• Nielsen Arnold T., Christian Stephen L., Chafin Andrew P., Wilson William+, J. Org. Chem, 59 (1994) N 7, S 1714-1718
  作者：Nielsen Arnold T., Christian Stephen L., Chafin Andrew P., Wilson William+

  DOI：——

  日期：——
• ENCAPSULATED EXPLOSIVES FOR DRILLING WELLBORES
  申请人：HALLIBURTON ENERGY SERVICES, INC.

  公开号：US20160032654A1

  公开（公告）日：2016-02-04

  Systems and methods for drilling operations may use encapsulated explosives to complement the performance of downhole cutting tools. An exemplary method may include drilling a wellbore penetrating a subterranean formation with a downhole cutting tool; circulating a drilling fluid in the wellbore, wherein the drilling fluid comprises a base fluid and an encapsulated explosive having an average diameter of about 10 nm to about 20 microns; triggering detonation of the encapsulated explosive; and detonating the encapsulated explosive proximal to a portion of the subterranean formation adjacent the downhole cutting tool.
• US3969413A
  申请人：——

  公开号：US3969413A

  公开（公告）日：1976-07-13
• US4029718A
  申请人：——

  公开号：US4029718A

  公开（公告）日：1977-06-14
• Synthesis of Tetranitrotoluenes
  作者：Arnold T. Nielsen、Stephen L. Christian、Andrew P. Chafin、William S. Wilson

  DOI：10.1021/jo00086a020

  日期：1994.4

  New synthetic routes to the three isomeric tetranitrotoluenes 1-3 are described, including the previously unreported 2,3,4,5-tetranitrotoluene (1). Methods include peroxydisulfuric acid oxidation of trinitrotoluidines and hypophosphorous acid reduction of diazonium salts derived from tetranitrotoluidines. Synthesis of selected trinitrotoluidine precursors is also discussed.