2,3,5-trimethylbenzene-1-sulfonic acid | 111513-16-7

• 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: 2,3,5-trimethylbenzene-1-sulfonic acid
• 英文别名: 1,2,4-Trimethylbenzol-6-sulfonsaeure；Mestylensulfosaeure；2,3,5-trimethyl-benzenesulfonic acid；2,3,5-Trimethyl-benzolsulfonsaeure；2,3,5-trimethylbenzenesulfonic acid
• CAS: 111513-16-7
• 化学式: C₉H₁₂O₃S
• 分子量: 200.258
• InChiKey: FQTYLWCOAXMRGY-UHFFFAOYSA-N

物化性质

• 密度：
  1.243±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  62.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,3,5-trimethylbenzene-1-sulfonic acid 、 alkaline earth salt of/the/ methylsulfuric acid 生成 2,3,5-三甲基苯酚
  参考文献：
  名称：

  Study of the tensile fracture of plates with a rigid linear inclusion

  摘要：

  The limit equilibrium of elastoplastic body is studied under the conditions of a plane problem. The body contains a linear inclusion, which is rigid but of finite rupture strength. The plastic or prefracture zones develop near the ends of the inclusion and are modeled by slip cracks along the matrix-inclusion interface. A new interpretation of the boundary conditions is proposed to solve a model problem for such a composition, and its analytical solution is derived. Two possible mechanisms of local fracture are considered: (a) fracture of the inclusion and (b) separation of the inclusion. The critical length of the inclusion is determined. This length together with the elastic and strength parameters of the composition determines the mechanism of local fracture. The limit loads are found for each mechanism of fracture.

  DOI：

  10.1007/bf02682305
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 氨 、 锌 作用下， 生成 2,3,5-trimethylbenzene-1-sulfonic acid
  参考文献：
  名称：

  Jacobsen, Chemische Berichte, 1889, vol. 22, p. 1580

  摘要：

  DOI：

文献信息

• COMPOUND, INK, INK CARTRIDGE AND INK JET RECORDING METHOD
  申请人：CANON KABUSHIKI KAISHA

  公开号：US20170247557A1

  公开（公告）日：2017-08-31

  A compound is represented by the following formula (1). In the compound represented by Formula (1), at least one of R 1 to R 24 is a group particularly high electron withdrawing property, such as a sulfonic acid group and a carboxylic acid group or a group having the next highest electron withdrawing property to the sulfonic acid group and the carboxylic acid group, such as a halogen atom.

  化合物由以下公式（1）表示。 在由公式（1）表示的化合物中，至少有一个R1到R24是具有特别高电子抽取性质的基团，例如磺酸基团和羧酸基团，或者具有次高电子抽取性质的基团，例如卤素原子。
• Aromatic isomerizations and related reactions. Part 6 Reactions of the tetra- and pentamethylbenzenesulfonic acids and hexamethylbenzene in concentrated sulfuric acid; the mechanism of the Jacobsen reaction
  作者：Ankie Koeberg-Telder、Hans Cerfontain

  DOI：10.1002/recl.19871060304

  日期：——

  and the three tetramethylbenzenes (TeMB's) in concentrated aqueous sulfuric acid has been studied quantitatively using 1H and 13C NMR and UV spectroscopy. PMB-sulfonic acid yields (protonated) hexamethylbenzene (HMB) and the 2,3,4,5- and 2,3,4,6-TeMB-1-sulfonic acids in an initial ratio of 9/1/8 up to a substrate conversion of 36%; the ratio of HMB to the TeMB-1-sulfonic acids remains 1/1 and the only

  使用1 H和13 C NMR和UV光谱定量研究了五甲基苯（PMB）和三个四甲基苯（TeMB's）在浓硫酸水溶液中的化学行为。PMB磺酸以9/1/8的初始比例生成（质子化）六甲基苯（HMB）和2,3,4,5-和2,3,4,6-TeMB-1-磺酸底物转化率为36％；HMB与TeMB-1-磺酸的比率仍为1/1，唯一的后续反应是2,3,4,6-相对缓慢地转化为2,3,4,5-TeMB-1-磺酸是浓硫酸中唯一稳定的TeMB-1-磺酸异构体。
• Kelbe; Pathe, Chemische Berichte, 1886, vol. 19, p. 1551
  作者：Kelbe、Pathe

  DOI：——

  日期：——
• Jacobsen, Chemische Berichte, 1889, vol. 22, p. 1580
  作者：Jacobsen

  DOI：——

  日期：——
• VERWENDUNG VON REAKTIVFARBSTOFFEN ZUM FÄRBEN VON HAAREN
  申请人：BASF SE

  公开号：EP1000123B1

  公开（公告）日：2008-09-10