O-ethyl O-(3,5,6-trichloropyridin-2-yl)-O-hydrogenphosphorothioate | 66651-96-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机硫代磷酸及其衍生物
• 英文名称: O-ethyl O-(3,5,6-trichloropyridin-2-yl)-O-hydrogenphosphorothioate
• 英文别名: O-ethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate；O-ethyl-O-3,5,6-trichloro-2-pyridyl phosphorothioate；mono-O-deethyl-chlorpyrifos；Phosphorothioic acid, O-ethyl O-(3,5,6-trichloro-2-pyridinyl) ester；ethoxy-hydroxy-sulfanylidene-(3,5,6-trichloropyridin-2-yl)oxy-λ5-phosphane
• CAS: 66651-96-5
• 化学式: C₇H₇Cl₃NO₃PS
• 分子量: 322.536
• InChiKey: WHGNMEMHTPXJRR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  83.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  毒死蜱 在 sodium iodide 作用下， 以 丙酮 为溶剂， 反应 5.0h， 以90%的产率得到O-ethyl O-(3,5,6-trichloropyridin-2-yl)-O-hydrogenphosphorothioate
  参考文献：
  名称：

  Fakhr, I. M. I.; Hegazi, B.; Khatab, M. S., Egyptian Journal of Chemistry, 1998, vol. 41, # 1-6, p. 145 - 154

  摘要：

  DOI：

文献信息

• A case study of acute human chlorpyrifos poisoning: Novel aspects on metabolism and toxicokinetics derived from liquid chromatography–tandem mass spectrometry analysis of urine samples
  作者：Wolfgang Bicker、Michael Lämmerhofer、Dieter Genser、Heinrich Kiss、Wolfgang Lindner

  DOI：10.1016/j.toxlet.2005.05.013

  日期：2005.12

  compounds and subsequent structure confirmation. Three distinct biotransformation routes of CP are proposed: (1) cleavage reactions at the aromatic phosphoester bond, (2) cleavage reactions at the alkyl phosphoester bonds, and (3) glutathione (GSH) dependent nucleophilic substitution of the 6-chlorine at the aromatic moiety. Route (2) has not been reported in humans before and (3) is a hitherto completely

  通过对尿液样本进行液相色谱-电喷雾电离-串联质谱 (LC-ESI-MS/MS) 分析，研究了有机硫代磷酸酯类杀虫剂毒死蜱 (CP) 在一名急性中毒的 59 岁女性体内的代谢命运。根据特征 MS/MS 转换、母离子/产物离子和/或中性丢失，分别鉴定了 CP 及其生物活化中间体毒死蜱 (CPO) 的 15 种代谢物，其中迄今为止仅在人类中描述过三种扫描、氯同位素模式，部分通过参考化合物的合成和随后的结构确认。提出了三种不同的 CP 生物转化途径：(1) 芳族磷酸酯键处的裂解反应，(2) 烷基磷酸酯键处的裂解反应，(3) 谷胱甘肽 (GSH) 依赖性的 6-氯在芳香部分的亲核取代。途径 (2) 以前没有在人类中报道过，而 (3) 是迄今为止完全未知的 CP 代谢方案。后者的尿液标志物主要是单脱氯 CP、CPO、单-O-脱乙基 CP 和单-O-脱乙基 CPO 的半胱氨酸 S-结合物以及 3,5-二氯-2
• CoFe2O4@TiO2 decorated reduced graphene oxide nanocomposite for photocatalytic degradation of chlorpyrifos
  作者：Vinod Kumar Gupta、Tanju Eren、Necip Atar、Mehmet Lütfi Yola、Cemal Parlak、Hassan Karimi-Maleh

  DOI：10.1016/j.molliq.2015.04.032

  日期：2015.8

  Chlorpyrifos is widely used to control pest insects in residential, agricultural, and commercial applications. Its common use has led to the release of chlorpyrifos into sediments, wastewater and water sources. The presence of chlorpyrifos in wastewaters and water sources may affect ecosystem and human health due to its chronicle toxicity to aquatic organisms. In this study, magnetic recoverable CoFe2O4@TiO2 decorated reduced graphene oxide nanocomposite was prepared and used for investigating the photodegradation of chlorpyrifos. The nanocomposite was characterized by using transmission electron microscopy, X-ray photoelectron spectroscopy, X-ray diffraction and scanning electron microscopy. In photocatalytic degradation of chlorpyrifos experiments, the effect of operating variables such as initial chlorpyrifos concentration, catalyst dosage and contact time was also investigated. The photocatalytic degradation of chlorpyrifos followed the pseudo-first-order kinetic model. The results indicated that the nanocomposite exhibited a high efficient photocatalytic activity on the photodegradation of chlorpyrifos. The nanocomposite was separated from the solution by a magnet and reused after the photodegradation of chlorpyrifos. The recyclable of the nanocomposite is economically significant in the industry. (C) 2015 Elsevier B.V. All rights reserved.
• MACALADY, D. L.;WOLFE, N. L., J. AGR. AND FOOD CHEM., 1983, 31, N 6, 1139-1147
  作者：MACALADY, D. L.、WOLFE, N. L.

  DOI：——

  日期：——
• Fakhr, I. M. I.; Hegazi, B.; Khatab, M. S., Egyptian Journal of Chemistry, 1998, vol. 41, # 1-6, p. 145 - 154
  作者：Fakhr, I. M. I.、Hegazi, B.、Khatab, M. S.、Zayed, S. M. A. D.

  DOI：——

  日期：——