3-[4-iodophenylazo]-2,4-pentanedione | 622848-28-6

• 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: 3-[4-iodophenylazo]-2,4-pentanedione
• 英文别名: 3-[(E)-(4-Iodophenyl)diazenyl]pentane-2,4-dione；3-[(4-iodophenyl)diazenyl]pentane-2,4-dione
• CAS: 622848-28-6
• 化学式: C₁₁H₁₁IN₂O₂
• 分子量: 330.125
• InChiKey: JZJQBAJGBKVEJX-UHFFFAOYSA-N

物化性质

• 熔点：
  150 °C(Solv: ethanol (64-17-5))
• 沸点：
  339.6±42.0 °C(Predicted)
• 密度：
  1?+-.0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  58.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  copper(ll) sulfate pentahydrate 、 3-[4-iodophenylazo]-2,4-pentanedione 以 乙醇 、 水 为溶剂， 生成 [Cu(3-[4-iodophenylazo]-2,4-pentanedione(-1H))2]
  参考文献：
  名称：

  Thermodynamic characteristics of metal complexation with 3-[4-iodophenylazo]-2,4-pentanedione in an aqueous ethanol solution

  摘要：

  Complexation of metals with 3-[4-iodophenylazo]-2,4-pentanedione (L) in an aqueous ethanol solution at temperatures 298 +/- 0.5, 318 +/- 0.5, and 318 +/- 0.5 K has been studied by the potentiometric titration method. The standard thermodynamic functions of the complexation reaction have been found. They change in the following sequence:vertical bar Delta G(0)vertical bar: Fe > Cu > Ni > Co > Mn > UO2 > Zn > Cd > Mg > Ca,vertical bar Delta H-0 vertical bar : Fe > Cu > UO2 > Ni > Co > Zn > Cd > Mn > Mg > Ca,Delta S-0: Ca > Mn > Mg > Cd > Co > Ni > Zn > Fe > Cu > UO 2.The effective charges of atoms in the tautomeric forms of L ( enol azo, keto azo, hydrazo) have been calculated by the LCAO MO method in the Huckel approximation.

  DOI：

  10.1134/s0036023607040304