4-氯-3-硝基苯甲酸铵 | 100442-78-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-氯-3-硝基苯甲酸铵
• 英文名称: ammonium 4-chloro-3-nitrobenzoate
• CAS: 100442-78-2
• 化学式: C₇H₃ClNO₄*H₄N
• 分子量: 218.597
• InChiKey: JBMTZGFVLDQKEI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.99
• 重原子数：
  14.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  119.77
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  4-氯-3-硝基苯甲酸铵 、 terbium(III) nitrate 以 not given 为溶剂， 生成 Tb(4-chloro-3-nitrobenzoate)3*2H2O
  参考文献：
  名称：

  摘要：

  DOI：

  10.1023/a:1010173411847

文献信息

• ——
  作者：W. Ferenc、B. Bocian

  DOI：10.1023/a:1010178826779

  日期：——

  The physico-chemical properties and thermal stabilities in air of rare earth element 4-chloro-3-nitrobenzoates and 5-chloro-2-nitrobenzoates were compared and the influence of the positions of the Cl and NO2 substituents on their thermal stabilities was investigated. The complexes of both series are crystalline, hydrated or anhydrous salts with colours typical of Ln(3+). The carboxylate group in these complexes is a bidentate, chelating ligand. The NO2 group in the chloronitro complexes does not undergo isomerization. The thermal stabilities of the 4-chloro-3-nitrobenzoates of Y and the lanthanides were studied in the temperature range 273-1173 K, but those of the 5-chloro-2-nitrobenzoates of these elements were studied only at 273-523 K, because they decompose explosively above 523 K. The positions of the Cl and NO2 substituents on the benzene ring influence the thermal properties of the complexes and their decomposition mechanisms. The different thermal stabilities of the complexes are connected with various inductive and mesomeric effects of the Cl and NO2 substituents on the electron density in the benzene ring.