1,1'-氧基二(2,4,6-三硝基苯) | 63441-08-7

• 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: 1,1'-氧基二(2,4,6-三硝基苯)
• 英文名称: bis(2,4,6-trinitrophenyl) ether
• 英文别名: dipicryl ether；2.4.6.2'.4'.6'-Hexanitro-diphenylaether；Bis-(2.4.6-trinitro-phenyl)-aether；Dipicryl-aether；1,1'-oxybis(2,4,6-trinitrobenzene)；2,4,6-trinitrophenol (picric acid)；1,3,5-trinitro-2-(2,4,6-trinitrophenoxy)benzene
• CAS: 63441-08-7
• 化学式: C₁₂H₄N₆O₁₃
• 分子量: 440.196
• InChiKey: FMGQOJATXJFNGA-UHFFFAOYSA-N

物化性质

• 熔点：
  252 °C (decomp)
• 沸点：
  494.4±45.0 °C(Predicted)
• 密度：
  1.905±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  31
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  284
• 氢给体数：
  0
• 氢受体数：
  13

安全信息

• 海关编码：
  2904209090

反应信息

• 作为反应物：
  描述：

  1,1'-氧基二(2,4,6-三硝基苯) 在 喹啉 作用下， 生成 苦味酸
  参考文献：
  名称：

  DE627697

  摘要：

  公开号：
• 作为产物：
  描述：

  1-(2,4-二硝基苯氧基)-2,4-二硝基苯 在 硫酸 、 硝酸 作用下， 生成 1,1'-氧基二(2,4,6-三硝基苯)
  参考文献：
  名称：

  DE635185

  摘要：

  公开号：

文献信息

• Correlation between Structure and Energetic Properties of Three Nitroaromatic Compounds: Bis(2,4-dinitrophenyl) Ether, Bis(2,4,6-trinitrophenyl) Ether, and Bis(2,4,6-trinitrophenyl) Thioether
  作者：Marco Reichel、Dominik Dosch、Thomas Klapötke、Konstantin Karaghiosoff

  DOI：10.1021/jacs.9b11086

  日期：2019.12.18

  Decades after the initial discovery of TNB ether derivatives, the first single-crystal X-ray structures for three members of this compound class could finally be shown and the analytical data could be completed. This group of molecules is an interesting example that illustrates why older predictive models for the sensitivity values of energetic materials like bond dissociation enthalpy and electrostatic

  在最初发现 TNB 醚衍生物几十年后，该化合物类别的三个成员的第一个单晶 X 射线结构终于可以显示出来，并且可以完成分析数据。这组分子是一个有趣的例子，它说明了为什么旧的高能材料灵敏度值（如键解离焓和静电势）的预测模型有时会给出与实验确定的值显着不同的结果。通过应用诸如 Hirschfeld 表面分析和指纹图分析之类的利用高能材料晶体结构的新模型，可以了解实验发现的敏感性趋势，并且可以正确看待旧模型。
• DE620761
  申请人：——

  公开号：——

  公开（公告）日：——
• Bandgar; Dhakne; Nigal, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1999, vol. 38, # 1, p. 111 - 113
  作者：Bandgar、Dhakne、Nigal

  DOI：——

  日期：——
• DETECTION OF TRINITROTOLUENE
  申请人：Yissum Research Development Company of the Hebrew University of Jerusalem, Ltd.

  公开号：EP2304415A2

  公开（公告）日：2011-04-06
• GELS FOR ENCAPSULATION OF BIOLOGICAL MATERIALS
  申请人：Hubbell Jeffrey A.

  公开号：US20080274201A1

  公开（公告）日：2008-11-06

  This invention provides novel methods for the formation of biocompatible membranes around biological materials using photopolymerization of water soluble molecules. The membranes can be used as a covering to encapsulate biological materials or biomedical devices, as a “glue” to cause more than one biological substance to adhere together, or as carriers for biologically active species. Several methods for forming these membranes are provided. Each of these methods utilizes a polymerization system containing water-soluble macromers, species, which are at once polymers and macromolecules capable of further polymerization. The macromers are polymerized using a photoinitiator (such as a dye), optionally a cocatalyst, optionally an accelerator, and radiation in the form of visible or long wavelength UV light. The reaction occurs either by suspension polymerization or by interfacial polymerization. The polymer membrane can be formed directly on the surface of the biological material, or it can be formed on material, which is already encapsulated.