3-羟基-5-甲基-2,4,6-三硝基-苯甲酸 | 602-14-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 3-羟基-5-甲基-2,4,6-三硝基-苯甲酸
• 英文名称: 3-hydroxy-5-methyl-2,4,6-trinitro-benzoic acid
• 英文别名: 3-Hydroxy-5-methyl-2,4,6-trinitro-benzoesaeure；2.4.6-Trinitro-5-oxy-m-toluylsaeure；3-Hydroxy-5-methyl-2,4,6-trinitrobenzoesaeure；3-Hydroxy-5-methyl-2,4,6-trinitrobenzoic acid
• CAS: 602-14-2
• 化学式: C₈H₅N₃O₉
• 分子量: 287.142
• InChiKey: SZBROWBWILOUMW-UHFFFAOYSA-N

物化性质

• 沸点：
  422.5±45.0 °C(Predicted)
• 密度：
  1.886±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  195
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  3-羟基-5-甲基-2,4,6-三硝基-苯甲酸 在 水 作用下， 生成 2,4,6-三硝基间甲酚
  参考文献：
  名称：

  Liebermann; van Dorp, Justus Liebigs Annalen der Chemie, 1872, vol. 163, p. 101

  摘要：

  DOI：
• 作为产物：
  描述：

  3-羟基-5-甲基苯甲酸 在 硝酸 作用下， 生成 3-羟基-5-甲基-2,4,6-三硝基-苯甲酸
  参考文献：
  名称：

  v. Kostanecki; Niementowski, Chemische Berichte, 1885, vol. 18, p. 253

  摘要：

  DOI：

文献信息

• The constitutions of atrovenetin and of some related herqueinone derivatives
  作者：D.H.R. Barton、P. de Mayo、G.A. Morrison、H. Raistrick

  DOI：10.1016/0040-4020(59)80035-1

  日期：1959.1

  been confirmed by oxidative degradation to the appropriate naphthalic anhydrides as well as by further oxidation to nitrococussic acid. The constitution of an important oxidation product, C15H14O9N2, obtained by the action of nitric acid on atrovenetin has been established. On the basis of this and other evidence the constitutions of atrovenetin and certain of its transformation products have been elucidated

  已证明脱氧， herqueinone和atrovenetin是相同的。根据光谱证据，这些化合物和相关物质已被表征为取代的9-羟基哌嗪酮。通过氧化降解为适当的萘酐以及进一步氧化为硝基古库斯酸，可以证实该结论。已经确定了重要的氧化产物C 15 H 14 O 9 N 2的组成，该产物通过硝酸作用于Atrovenetin而获得。基于该证据和其他证据，阐明了Atrovenetin的组成及其某些转化产物。
• Dimroth; Fick, Justus Liebigs Annalen der Chemie, 1916, vol. 411, p. 323
  作者：Dimroth、Fick

  DOI：——

  日期：——
• Oxford; Raistrick, Biochemical Journal, 1940, vol. 34, p. 790,799
  作者：Oxford、Raistrick

  DOI：——

  日期：——
• Dimroth, Chemische Berichte, 1910, vol. 43, p. 1387,1398
  作者：Dimroth

  DOI：——

  日期：——
• Platinum-group elements for the Kudi ophiolite, western Kunlun
  作者：Zhihong Wang、Quanlin Hou、Jiliang Li、Haihong Chen

  DOI：10.1007/bf02887105

  日期：2000.3

  The analyses of PGE characteristics for the Kudi ophiolite, western Kunlun, are reported in this note. The Ir-depleted anomalous ancient upper mantle represented by the Kudi mantle peridotites had been percolated and mixed by remelted oceanic crust material from a supra-subduction zone, leaving the rocks relatively enriched in Pd. The PGE contents in the Kudi cumulate pyroxenites and gabbros vary from 2.4 to 23.94 ng/g, and the highest values are in pyroxenites. The Pd/Ir ratios increase from the pyroxenites to the gabbros. The PGE patterns for the Kudi cumulate rocks are steeply positively sloped. The Pd enrichment in these rocks is similar to that in pyroxenites from the Thetford ophiolite and the Troodos ophiolite. The Kudi diabase and basalts have low PGE contents and positively sloped PGE patterns, and are comparable with the upper pillow lavas from the Troodos ophiolite, indicative of the environment of back-are spreading center in a supra-subduction zone.