m-chlorobenzoate anion | 16887-60-8

• 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: m-chlorobenzoate anion
• 英文别名: 3-chlorobenzoate ion；3-chlorobenzoate；m-chlorobenzoate；3-chloro-benzoic acid; deprotonated form
• CAS: 16887-60-8
• 化学式: C₇H₄ClO₂
• 分子量: 155.561
• InChiKey: LULAYUGMBFYYEX-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  40.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  m-chlorobenzoate anion 以 甲醇 为溶剂， 生成 3-氯苯甲酸
  参考文献：
  名称：

  Ka Values of Weak Organic Acids in Protic Solvents Obtained from Their First Hyperpolarizabilities in Solution

  摘要：

  The first hyperpolarizabilities (beta) of some weak aromatic organic acids have been measured in protic solvents by the hyper-Rayleigh scattering (HRS) technique at low concentrations. The measured hyperpolarizability (beta(m)) varies between the two extreme limits: the hyperpolarizability of the acid form (beta(HA)) at the lower side and that of the basic form (beta(A-)) at the higher side. The degree of dissociation (alpha) of the acid in a solvent is related to the measured hyperpolarizability, beta(m), by the following relationship: beta(m)(2)=(1-alpha)beta(HA)(2)+alpha beta(A-)(2). The calculated beta's including solvent effects in terms of an Onsager field do not reproduce the experimentally measured hyperpolarizabilities. Other solvent-induced effects like hydrogen bonding and van der Waals interactions seem to influence the first hyperpolarizability and, thus, indirectly the extent of dissociation of these weak acids in these protic solvents.

  DOI：

  10.1021/j100051a014
• 作为产物：
  描述：

  3-氯苯甲酸 在 溴棕三甲铵 作用下， 以 水 为溶剂， 生成 m-chlorobenzoate anion
  参考文献：
  名称：

  超声吸收法研究阳离子胶束对芳族羧酸水解反应动力学的影响

  摘要：

  在水溶液中存在十四烷基三甲基溴化铵（TTAB）胶束的情况下，通过超声吸收法对羧酸的原位动力学进行了动力学研究。研究的羧酸分为两类，一类能够形成分子内氢键，即水杨酸衍生物（SAD），另一类不能形成该键，即苯甲酸衍生物（BAD）。所述速率常数（γ 2 ķ ˚F，ķ b），表观解离常数（ķ一个），并且将反应（Δ的体积变化V获得）。不同的K a关于分子内氢键的影响讨论了SAD和BAD观察到的速率常数的依赖性。还观察到SAD和BAD的ΔV的p K a依赖性。这些依赖性大于水溶液中的依赖性。该结果归因于胶束溶液和水溶液中水分子在溶质周围的排列方式的变化。

  DOI：

  10.1039/ft9949000869

文献信息

• Micellized Tris(bipyridine)ruthenium Catalysts Affording Preparative Amounts of Hydrated Electrons with a Green Light-Emitting Diode
  作者：Robert Naumann、Florian Lehmann、Martin Goez

  DOI：10.1002/chem.201801955

  日期：2018.9.6

  improve the performance of the title complexes in photoredox catalytic systems that produce synthetically useable amounts of hydrated electrons through photon pooling. Despite generating a super‐reductant, these electron sources only consume the bioavailable ascorbate and are driven by a green light‐emitting diode (LED). The substitutions influence the catalyst activity through the interplay of the quenching

  我们已经研究了配体的烷基取代，以改善光氧化还原催化系统中标题配合物的性能，该系统通过光子池产生合成可用量的水合电子。尽管产生了超级还原剂，但这些电子源仅消耗生物可利用的抗坏血酸，并由绿色发光二极管（LED）驱动。取代通过淬灭参数的相互作用，还原的催化剂OER和胶束-水界面上的抗坏血酸基团的重组率以及OER光电离的量子产率之间的相互作用来影响催化剂的活性。激光闪光光解法可提供有关所有这些过程的全面信息，并可以定量预测在LED动力学中观察到的活性，但是后一种方法提供了在合成时间范围内在光照下催化剂稳定性的唯一途径。具有二甲基联吡啶配体的均溶络合物作为最佳组合出现，其相对于母体化合物具有两倍高的活性和不减的稳定性。通过这种复合物，我们实现了烷基和芳基氯化物和氟化物的脱卤，碳-碳双键的氢化以及自偶联反应和交叉偶联反应。所用的所有基材都不能透过普通的光氧化还原催化剂，但作为超级还原剂的水合电子没有任
• Crystal structures, CO₂ adsorption, and dielectric properties of [Cu(<scp>ii</scp>)₂(R-benzoate)₄(pyrazine)]_∞ polymers (R = m-F, 2,3-F₂, m-Cl, and m-CH₃)
  作者：Kiyonori Takahashi、Norihisa Hoshino、Takashi Takeda、Shin-ichiro Noro、Takayoshi Nakamura、Sadamu Takeda、Tomoyuki Akutagawa

  DOI：10.1039/c4dt00258j

  日期：——

  The relationship between the interchain interactions and CO₂ gas adsorption–desorption properties, and dielectric responses under CO₂ desorbed conditions.

  在CO₂脱附条件下，互锁相互作用与CO₂气体吸附-脱附性能以及介电响应之间的关系。
• Colthurst, Matthew J.; Williams, Andrew, Journal of the Chemical Society. Perkin Transactions 2 (2001), 1997, # 8, p. 1493 - 1497
  作者：Colthurst, Matthew J.、Williams, Andrew

  DOI：——

  日期：——
• Cationic micellar effect on the kinetics of the protolysis of aromatic carboxylic acids studied by the ultrasonic absorption method
  作者：Teruyo Isoda、Miyuki Yamasaki、Hiroshige Yano、Takayuki Sano、Shoji Harada

  DOI：10.1039/ft9949000869

  日期：——

  The protolysis of carboxylic acids has been kinetically studied by the ultrasonic absorption method in the presence of tetradecyltrimethylammonium bromide (TTAB) micelles in aqueous solution. The carboxylic acids studied were classified into two categories, one capable of formation of intramolecular hydrogen bond, namely the salicylic acid derivatives (SAD) and the other which cannot form the bond

  在水溶液中存在十四烷基三甲基溴化铵（TTAB）胶束的情况下，通过超声吸收法对羧酸的原位动力学进行了动力学研究。研究的羧酸分为两类，一类能够形成分子内氢键，即水杨酸衍生物（SAD），另一类不能形成该键，即苯甲酸衍生物（BAD）。所述速率常数（γ 2 ķ ˚F，ķ b），表观解离常数（ķ一个），并且将反应（Δ的体积变化V获得）。不同的K a关于分子内氢键的影响讨论了SAD和BAD观察到的速率常数的依赖性。还观察到SAD和BAD的ΔV的p K a依赖性。这些依赖性大于水溶液中的依赖性。该结果归因于胶束溶液和水溶液中水分子在溶质周围的排列方式的变化。
• Ka Values of Weak Organic Acids in Protic Solvents Obtained from Their First Hyperpolarizabilities in Solution
  作者：Paresh Chandra Ray、Puspendu Kumar Das

  DOI：10.1021/j100051a014

  日期：1995.12

  The first hyperpolarizabilities (beta) of some weak aromatic organic acids have been measured in protic solvents by the hyper-Rayleigh scattering (HRS) technique at low concentrations. The measured hyperpolarizability (beta(m)) varies between the two extreme limits: the hyperpolarizability of the acid form (beta(HA)) at the lower side and that of the basic form (beta(A-)) at the higher side. The degree of dissociation (alpha) of the acid in a solvent is related to the measured hyperpolarizability, beta(m), by the following relationship: beta(m)(2)=(1-alpha)beta(HA)(2)+alpha beta(A-)(2). The calculated beta's including solvent effects in terms of an Onsager field do not reproduce the experimentally measured hyperpolarizabilities. Other solvent-induced effects like hydrogen bonding and van der Waals interactions seem to influence the first hyperpolarizability and, thus, indirectly the extent of dissociation of these weak acids in these protic solvents.