倍硫磷-氧 | 6552-12-1

• 物质功能分类: 化学农药原药 - 杀虫剂 - 有机氯杀虫剂
• 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: 倍硫磷-氧
• 中文别名: 倍硫磷氧化物
• 英文名称: Fenthion oxon
• 英文别名: fenoxon；O,O-Dimethyl-O-(3-methyl-4-methylmercaptophenyl)-phosphat；dimethyl (3-methyl-4-methylsulfanylphenyl) phosphate
• CAS: 6552-12-1
• 化学式: C₁₀H₁₅O₄PS
• 分子量: 262.266
• InChiKey: ZNRZGJAHNMGWQN-UHFFFAOYSA-N

物化性质

• 沸点：
  108 °C(Press: 0.01 Torr)
• 密度：
  1.22±0.1 g/cm3(Predicted)
• 保留指数：
  1876.7;1880

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  70.1
• 氢给体数：
  0
• 氢受体数：
  5

ADMET

代谢

Fenthion oxon 是 Fenthion 的已知人体代谢物。

Fenthion oxon is a known human metabolite of Fenthion.

来源:NORMAN Suspect List Exchange

安全信息

• 危险等级：
  6.1(b)
• 危险品运输编号：
  UN 3018
• 海关编码：
  2930909090
• 包装等级：
  III
• 危险类别：
  6.1(b)
• WGK Germany：
  1

反应信息

• 作为产物：
  描述：

  间甲酚 在 硫酸 、 sodium carbonate 作用下， 以 丙酮 为溶剂， 反应 11.0h， 生成 倍硫磷-氧
  参考文献：
  名称：

  在缓冲水介质中，硫磷及其代谢产物的水解动力学。

  摘要：

  本研究研究了在25、50和65摄氏度下pH 7和pH 9缓冲的水介质中的硫磷及其五种氧化代谢产物的水解动力学。合成并纯化了五种代谢产物和三种水解产物。通过HPLC测定反应物和相应的水解产物。速率常数和半衰期研究表明，在中性介质中，硫磷及其代谢产物相对稳定，并且随着pH的升高，其稳定性降低。25摄氏度下半衰期的变化范围为：对二硫磷为59.0天，在pH为7的情况下为fenoxon砜的16.5天；对二硫磷，在pH 9的情况下为55.5天，对fenoxon砜为9.50天。在升高的温度下，半衰期大大降低。发现所研究化合物的活化能（E（a））为16.7至22.1 kcal / mol。在50℃下，在7和pH 9缓冲溶液中，苯硫磷和fenoxon，3-甲基-4-甲基硫代苯酚的酚水解产物不稳定，而3-甲基-4-甲基磺酰基苯酚和3-甲基-4-甲基亚磺酰基苯酚相对较稳定。在相同条件下稳定。在pH 9时，二硫磷

  DOI：

  10.1021/jf9907539

文献信息

• Electronic ID database and detection method for pesticide compound in edible agro-products based on LC-Q-Orbitrap
  申请人：CHINESE ACADEMY OF INSPECTION AND QUARANTINE

  公开号：US11169128B2

  公开（公告）日：2021-11-09

  Disclosed is an electronic ID database and detection method for pesticide compound in edible agro-products based on LC-Q-Orbitrap. The electronic ID database includes a collection of various pesticides compound electronic ID information, intelligent matching values and collision energies. It is ordered according to the retention time in the electronic ID. The electronic ID contains pesticide compounds information, retention time, adduct ions information, fragment ions information, collision energies, and the optimal full scan mass spectrum. The detection method includes sample pre-treatment, setting LC-Q-Orbitrap operating conditions and sample pesticide residue screening. Setting LC-Q-Orbitrap operating conditions contain setting suitable chromatography and mass spectrometry conditions. In pesticide residue screening procedures, firstly, the retention time is used to find pesticide compounds electronic ID database. If matching, the corresponding electronic ID information is extracted. Then the intelligent matching value is compared, if it is same, the result is recorded and displayed, and the screening is completed.

  本发明公开了一种基于 LC-Q-Orbitrap 的食用农产品中农药化合物电子 ID 数据库及检测方法。电子 ID 数据库包括各种农药化合物电子 ID 信息、智能匹配值和碰撞能量的集合。它根据电子 ID 的保留时间进行排序。电子 ID 包含农药化合物信息、保留时间、加成离子信息、碎片离子信息、碰撞能量和最佳全扫描质谱。检测方法包括样品预处理、设置 LC-Q-Orbitrap 运行条件和样品农药残留筛选。设置 LC-Q-Orbitrap 运行条件包括设置合适的色谱和质谱条件。在农药残留筛选程序中，首先利用保留时间查找农药化合物电子 ID 数据库。如果匹配，则提取相应的电子 ID 信息。然后比较智能匹配值，如果相同，则记录并显示结果，完成筛选。
• Electronic ID database and detection method for pesticide compounds in edible Agro-products based on GC-Q-Orbitrap
  申请人：CHINESE ACADEMY OF INSPECTION AND QUARANTINE

  公开号：US11181512B2

  公开（公告）日：2021-11-23

  Disclosed is an electronic ID database and detection method for pesticide compounds in edible agro-products based on GC-Q-Orbitrap. The electronic ID database includes a collection of various pesticide compounds electronic ID information and is sorted according to retention time in the electronic ID. The electronic ID contains pesticide compounds information, retention time, mass spectrum, fragment ions information and intelligent matching value. The detection method includes sample pretreatment procedures, setting GC-Q-Orbitrap operating conditions and screening procedures for pesticide residues in samples, wherein setting GC-Q-Orbitrap operating conditions includes setting suitable chromatography and mass spectrometry conditions. In pesticide residue screening procedures, firstly, the retention time is used to find out pesticide compounds in electronic ID database. If there is a match, the corresponding electronic ID information is extracted. Then the intelligent matching value is compared, if it is less than threshold value, the result is recorded and displayed, and the screening is completed.

  本发明公开了一种基于 GC-Q-Orbitrap 的食用农产品中农药化合物电子 ID 数据库和检测方法。电子标识数据库包括各种农药化合物电子标识信息的集合，并根据电子标识中的保留时间进行排序。电子 ID 包含农药化合物信息、保留时间、质谱、碎片离子信息和智能匹配值。检测方法包括样品前处理程序、GC-Q-Orbitrap 操作条件设置和样品中农药残留筛选程序，其中 GC-Q-Orbitrap 操作条件设置包括设置合适的色谱和质谱条件。在农药残留筛选程序中，首先利用保留时间在电子 ID 数据库中查找农药化合物。如果匹配，则提取相应的电子 ID 信息。然后比较智能匹配值，如果小于阈值，则记录并显示结果，完成筛选。
• Oxidation of organophosphorus pesticides for the sensitive detection by a cholinesterase-based biosensor
  作者：Hye-Sung Lee、Young Ah Kim、Young Ae Cho、Yong Tae Lee

  DOI：10.1016/s0045-6535(01)00005-4

  日期：2002.1

  A potentiometric flow injection-type biosensor developed in our laboratory was used for the determination of organophosphorus pesticides (OPs). The principle of the biosensor is that the degree of inhibition of a sensor enzyme by an OP is dependent on the concentration of the pesticide. The sensor system consisted of a reactor with acetylcholinesterase (AChE) immobilized on a controlled pore glass and a detector with a tubular H+-selective membrane electrode. In order to examine the possibility of enhancing the sensitivity of the sensor by converting OPs to oxidized forms (stronger inhibitors), a comparison of the degree of enzyme inhibition by OPs at 10(-6) M before and after their oxidation was made. All of the ten pesticides tested exhibited greater inhibitory power toward the sensor enzyme following oxidation. All of the oxidized pesticides at 10(-6) M inhibited the sensor enzyme to a considerable degree, demonstrating the utility of the developed method for the class-specific determination of OPs. A calibration curve for diazinon, over the concentration range of 10(-11)-10(-4) M, was obtained. The lower detection limit was 2 x 10(-10) M. Treatment of the inhibited enzyme with pyridine-2-aldoxime restored the enzyme to near full activity, allowing repeated use of the sensor. (C) 2002 Published by Elsevier Science Ltd.
• METHOD FOR MOSQUITO CONTROL
  申请人：Dobson, Stephen

  公开号：EP2699096B1

  公开（公告）日：2017-05-03
• Methods and compositions for increasing the efficacy of biologically-active ingredients
  申请人：Windsor Brian J.

  公开号：US20060276339A1

  公开（公告）日：2006-12-07

  The invention provides methods and compositions for modulating the sensitivity of cells to cytotoxic compounds and other active agents. In accordance with the invention, compositions are provided comprising combinations of ectophosphatase inhibitors and active agents. Active agents include antibiotics, fungicides, herbicides, insecticides, chemotherapeutic agents, and plant growth regulators. By increasing the efficacy of active agents, the invention allows use of compositions with lowered concentrations of active ingredients.

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