4,4'-diamino-3,5,3',5'-tetranitro-benzophenone | 54638-84-5

• 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: 4,4'-diamino-3,5,3',5'-tetranitro-benzophenone
• 英文别名: 4,4'-Diamino-3,5,3',5'-tetranitro-benzophenon；4-(4-Amino-3,5-dinitrobenzoyl)-2,6-dinitroaniline；bis(4-amino-3,5-dinitrophenyl)methanone
• CAS: 54638-84-5
• 化学式: C₁₃H₈N₆O₉
• mdl: MFCD00233294
• 分子量: 392.241
• InChiKey: HXRRVOCNYUMBBF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  28
• 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：
  252
• 氢给体数：
  2
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  bis(4-chloro-3,5-dinitrophenyl)methanone 在 甲醇 、 氨 作用下， 生成 4,4'-diamino-3,5,3',5'-tetranitro-benzophenone
  参考文献：
  名称：

  van Alphen, Recueil des Travaux Chimiques des Pays-Bas, 1930, vol. 49, p. 153,159

  摘要：

  DOI：

文献信息

• Pohlmann, Recueil des Travaux Chimiques des Pays-Bas, 1936, vol. 55, p. 737,740
  作者：Pohlmann

  DOI：——

  日期：——
• The effect of Cr on the solubility of Al in orthopyroxene: experiments and thermodynamic modelling
  作者：Stephan Klemme、Hugh StC O'Neill

  DOI：10.1007/s004100000140

  日期：2000.11

  The partitioning of chromium and aluminium between coexisting orthopyroxene and spinel in equilibrium with forsterite in the system MgO-Al2O3-SiO2-Cr2O3 (MAS-Cr) has been experimentally determined as a function of temperature, pressure and Cr/(Cr + Al) ratio. Experiments were conducted at temperatures between 1300 and 1500 degreesC and at pressures from 5 to 54 kbar. Previous experimental results on the(Al, Cr)(2)O-3 and Mg(AI, CT)(2)O-4 solid solutions have been combined with the present results plus relevant data from the CMAS system to derive a thermodynamic model for Al-Cr-bearing orthopyroxenes, spinels and corundum-eskolaite solid solutions. The orthopyroxene solid solution can be modelled within the accuracy of all experimental constraints as a ternary solid solution involving the components Mg2Si2O6 ( E), MgAl2SiO6 (M) and MgCr2SiO6 (C), in which the activities are related to composition through the equations:RT ln(a(Mg2Si2O6)(opx)) = RT ln(X-E(opx)) + W-EM(opx)(X-E(opx)) + W-EC(opx)(X-C(opx))(2) + (W-EM(opx) + W-EC(opx) - W-MC(opx))(XMXCopx)-X-opxRT ln(a(Mg2Si2O6)(opx)) = RT ln((X-M(opx))(2)/(X-M(opx) + X-C(opx))) + W-EM(opx)(X-E(opx))(2) + W-MC(opx)(X-C(opx))(2) + (W-EM(opx) + W-MC(opx) -W-EC(opx))(XEXCopx)-X-opxRT ln(a(MgCr2SiO6)(opx)) = RT ln((X-C(opx))(2)/(X-M(opx) + X-C(opx))) + W-MC(opx)(X-M(opx))(2) + W-EC(opx)(X-E(opx))(2) + (W-MC(opx) + W-EC(opx) -W-EM(opx))(XMXEopx)-X-opxThe mole fractions are defined asX-E(opx) = (1 - n(Al)/2 - n(Cr)/2), X-M(opx) = (n(Al)/2) and X-C(opx) = (n(Cr)/2),where n(Al) and n(Cr) are the number of Al and Cr cations per orthopyroxene formula unit of six oxygens. These expressions reduce to one-site mixing for Mg2Si2O6MgAl2SiO6 orthopyroxenes in the Cr-free system, but are equivalent to two-site mixing for the exchange of Al and Cr between orthopyroxene and spinel, as required by the experimental data. We find W-EM(opx) = W-EC(opx) = 20 kJ mol(-1) and W-MC(opx) = 0.
• Consonno, Gazzetta Chimica Italiana, 1904, vol. 34 I, p. 381
  作者：Consonno

  DOI：——

  日期：——
• Consonno, Gazzetta Chimica Italiana, 1904, vol. 34 I, p. 374
  作者：Consonno

  DOI：——

  日期：——
• van Alphen, Recueil des Travaux Chimiques des Pays-Bas, 1930, vol. 49, p. 153,159
  作者：van Alphen

  DOI：——

  日期：——