4-(2,4-dinitro-phenylazo)-2,6-dimethyl-phenol | 43109-10-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 偶氮苯
• 英文名称: 4-(2,4-dinitro-phenylazo)-2,6-dimethyl-phenol
• 英文别名: 2,6-dimethyl-4-[(E)-(2,4-dinitrophenyl)diazenyl]phenol；2'.4'-Dinitro-4-hydroxy-3.5-dimethyl-azobenzol；2,6-Dimethyl-4-(2',4'-dinitrophenylazo)-phenol
• CAS: 43109-10-0
• 化学式: C₁₄H₁₂N₄O₅
• 分子量: 316.273
• InChiKey: POLFBRDEDFQWFL-FOCLMDBBSA-N

物化性质

• 熔点：
  218 °C(Solv: acetic acid (64-19-7))
• 沸点：
  562.6±50.0 °C(Predicted)
• 密度：
  1.45±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.24
• 重原子数：
  23.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  131.23
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  4-(2,4-dinitro-phenylazo)-2,6-dimethyl-phenol 、 四丁基氢氧化铵 以 水 为溶剂， 生成
  参考文献：
  名称：

  新型取代的4-[（（E））-（4-硝基苯基）二氮烯基]酚盐染料的溶剂变色

  摘要：

  为了更好地了解这种现象的性质，研究纯染料中的染料的反向溶剂变色是令人感兴趣的。本文合成并表征了一系列九种化合物，它们具有与偶氮共轭桥连接的苯酚和4-硝基苯基基团。这些化合物被去质子化以产生溶剂化变色酚盐染料。与显示CH CH或CH CH的相关化合物相比，偶氮桥可使苯酚更酸性N桥的分子结构表明了偶氮桥的吸电子特性。在29种溶剂中研究了染料的溶剂溶变色现象，它们在溶液中的强烈色泽归因于π-π*电子跃迁，分子内电荷从酚盐向4-硝基芳基转移。探针显示出其溶剂致变色的逆转，其行为与用相关染料CH CH或CH 2证实的行为相似N为共轭桥；但是，偶氮染料对溶剂极性变化的敏感度要低得多。多参数分析表明，偶氮染料对介质的酸度非常敏感，但由于偶氮基团的电负性，其程度仍低于相应的亚胺和二苯乙烯染料。染料的反向溶剂致变色取决于电子给体酚盐和电子受体4-硝基芳基，与共轭桥无关，另外的硝基和在2,6-位的取代基的性质

  DOI：

  10.1016/j.molliq.2019.112330
• 作为产物：
  描述：

  2,6-Dimethyl-phenol-indophenol 在 硫酸 作用下， 生成 4-(2,4-dinitro-phenylazo)-2,6-dimethyl-phenol
  参考文献：
  名称：

  �ber Indophenole

  摘要：

  DOI：

  10.1007/bf00898376

文献信息

• Diazo Coupling of [2.2]Metacyclophanes
  作者：Akihiko Tsuge、Tetsuji Moriguchi、Shuntaro Mataka、Masashi Tashiro

  DOI：10.1246/cl.1992.579

  日期：1992.4

  [2.2]Metacyclophanes(=MCPs) which carry hydroxy, methoxy or methyl group at the inner position exhibited a stronger reactivity toward diazonium salts than the corresponding phenol, anisole or toluene, respectively. Such a reactivity was also estimated in connection with the UV spectra of the azo benzene component.

  [2.2]在内部位置带有羟基、甲氧基或甲基的Metacyclophanes(=MCPs)对重氮盐表现出比相应的苯酚、苯甲醚或甲苯更强的反应性。还结合偶氮苯组分的紫外光谱估计了这种反应性。
• Tsuge, Akihiko; Moriguchi, Tetsuji; Mataka, Shuntaro, Journal of the Chemical Society. Perkin transactions I, 1993, # 18, p. 2211 - 2216
  作者：Tsuge, Akihiko、Moriguchi, Tetsuji、Mataka, Shuntaro、Tashiro, Masashi

  DOI：——

  日期：——
• PM₁₀ Dispersion Modeling for Treasure Valley, Idaho
  作者：Darko Koracin、Domagoj Podnar、Judith Chow、Vlad Isakov、Yayi Dong、Alison Miller、Mike McGown

  DOI：10.1080/10473289.2000.10464174

  日期：2000.8

  The recorded exceedances of the 24-hr PM10 National Ambient Air Quality Standard (NAAQS) in Treasure Valley, Idaho, have been associated with prolonged stagnation periods during the winter. A comprehensive modeling study of PM10 impact in Treasure Valley was performed to support the State Implementation Plan (SIP). The study included base-year and short-term episodic conditions. The ISCST3 (Industrial Source Complex Short Term 3) model, using the base-year meteorology and gridded emissions of mobile sources, point sources, and wood burning as input, generally agreed well with measurements in both temporal patterns and annual averages. The WYNDvalley model was evaluated using monitoring data and was used to simulate the PM10 impact for episodic exceedances during stagnant winter conditions. An emission inventory was prepared for a base year (1995) and then extrapolated to the years 2000, 2005, 2010, and 2015 in order to determine air quality planning requirements. According to the simulations using base-year emissions and meteorology, exceedances are not expected. However, exceedances at some stations could be expected using projected emissions and episodic meteorology. Results from emission control strategies we developed indicate that mobile-source emissions have the most significant impact; reduction of 25% would be needed to eliminate the simulated exceedances in all projected years.
• Konstitution und Indikatoreigenschaften
  作者：B. Gl�ckner

  DOI：10.1007/bf00899152

  日期：——