4-[(6-羟基-2-苯并恶唑基)氧基]苯酚 | 1051401-34-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4-[(6-羟基-2-苯并恶唑基)氧基]苯酚
• 英文名称: 4-[(6-hydroxy-2-benzoxazolyl)oxy]phenol
• CAS: 1051401-34-3
• 化学式: C₁₃H₉NO₄
• 分子量: 243.219
• InChiKey: FUWAFGNMDVOIFB-UHFFFAOYSA-N

物化性质

• 沸点：
  466.9±51.0 °C(Predicted)
• 密度：
  1.456±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.03
• 重原子数：
  18.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  75.72
• 氢给体数：
  2.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  恶唑禾草灵 以 水 、 乙腈 为溶剂， 生成 4-[(6-氯-1,3-苯并恶唑-2-基)氧基]苯酚 、 ethyl 2-{4-[(2-benzoxazolyl)oxy]phenoxy}propanoate 、 2-苯并唑啉酮 、 6-氯-苯并恶唑酮 、 6-羟基-2-苯并噁唑啉酮 、 4-[(6-羟基-2-苯并恶唑基)氧基]苯酚 、 ethyl 2-{4-[(6-hydroxy-2-benzoxazolyl)oxy]phenoxy}propanoate 、 对苯二酚 、 (R)-(+)-2-(4-羟基苯氧基)丙酸乙酯
  参考文献：
  名称：

  More Toxic and Photoresistant Products from Photodegradation of Fenoxaprop-p-ethyl

  摘要：

  The photodegradation pathway of the commonly used herbicide fenoxaprop-p-ethyl (FE) was elucidated, and the effects of the photodegradation on its toxicity evolution were investigated. Under solar irradiation, FE could undergo photodegradation, and acetone enhanced the photolysis rates significantly. The same photoproducts formed under the irradiation of lambda > 200 nm and lambda > 290 nm through rearrangement, loss of ethanol after rearrangement, de-esterification, dechlorination, photohydrolysis, and the breakdown of the ether linkages. One of the main transformation products, 4-[(6-chloro-2-benzoxazolyl)oxy] phenol (CBOP), was resistant to photodegradation under the irradiation of lambda > 290 nm, and its photolysis rate was seven times slower than the parent under the irradiation of lambda > 200 nm. Among the metabolites, CBOP (48 h EC50 of 1.49-1.64 mg/L) and hydroquinone (48 h EC50 of 0.25-0.28 mg/L) were more toxic to Daphnia magna than the parent FE (48 h EC50 of 4.2-6.9 mg/L). Thus, more toxic and photoresistant products were generated from photolysis of the herbicide. Ecotoxicological effects of phototransformed products from pesticides should be emphasized for the ecological risk assessment of these anthropogenic pollutants.

  DOI：

  10.1021/jf801341s