氧皮蝇磷 | 3983-45-7

• 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: 氧皮蝇磷
• 中文别名: 杀螟硫磷；O,O-二甲基-O-(2,4,5-三氯)苯基磷酸酯
• 英文名称: ronnel oxon
• 英文别名: phosphoric acid dimethyl ester-(2,4,5-trichloro-phenyl ester)；Phosphorsaeure-dimethylester-(2,4,5-trichlor-phenylester)；dimethyl 2,4,5-trichlorophenyl phosphate；O,O-Dimethyl-O-(2,4,5-trichlorphenyl)-phosphat；O,O-Dimethyl-O-2,4,5-trichlorphenylphosphat；Ronnal；Ronoxon；dimethyl (2,4,5-trichlorophenyl) phosphate
• CAS: 3983-45-7
• 化学式: C₈H₈Cl₃O₄P
• 分子量: 305.482
• InChiKey: XWMMHXRGYYPFAV-UHFFFAOYSA-N

物化性质

• 熔点：
  >40°C (dec.)
• 沸点：
  151-154 °C(Press: 0.4 Torr)
• 密度：
  1.44 g/cm3(Temp: 32 °C)
• 溶解度：
  可溶于氯仿（少许）、甲醇（少许）
• 保留指数：
  1826.6

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  氧皮蝇磷 、 sodium methylate 在 lanthanum(lll) triflate 作用下， 以 甲醇 为溶剂， 生成 磷酸三甲酯 、 2,4,5-三氯苯酚
  参考文献：
  名称：

  La3+-催化裂解磷酸二甲酯（邻甲氧羰基）芳基三酯在甲醇中的离基辅助

  摘要：

  在含有不同浓度 La3+ 和 (s)(s) 的甲醇中，在 25 摄氏度下研究了一系列芳基含有邻甲氧基羰基 (o-CO2Me) 取代基 (4a-i) 的二甲基芳基磷酸酯三酯的催化甲醇分解)pH。La3+(2) 催化的底物 4a（二甲基（邻甲氧基羰基）苯基磷酸酯）裂解的二阶速率常数的测定作为（s）（s）pH 的函数根据物种形成图进行评估，该图显示该过程由 La3+(2)(-OCH3)x 二聚体催化，其中 x = 1-5，所有物种之间的活性差异仅为 5 倍。4a-i 在 (s)(s)pH 8.7 下催化甲醇分解的二级催化速率常数 (k2(La)) 符合 log k2(La) = (-0.82 +/- 0.11) 的布朗斯泰德关系（ s)(s)pKa(lg) + (11.61 +/- 1.48)，其中梯度比一系列不含 o-CO2Me 取代基的二甲基芳基磷酸酯测定的梯度更浅，log k2(La) =

  DOI：

  10.1021/ja904659e
• 作为产物：
  描述：

  Sodium;2,4,5-trichlorophenolate;hydrate 在 甲醇 、 二氯甲烷 、 sodium acetate 、 三氯氧磷 作用下， 生成 氧皮蝇磷
  参考文献：
  名称：

  O-2, 4, 5-trichlorophenyl o, o-dialkylphosphates

  摘要：

  公开号：

  US02599515A1

文献信息

• 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。
• Dimethyldioxirane conversion of phosphine sulfides and phosphorothioates into their corresponding oxygen analogues
  作者：Francisco Sánchez-Baeza、Gaël Durand、Damiá Barceló、Angel Messeguer

  DOI：10.1016/s0040-4039(00)89065-6

  日期：1990.1
• SANCHEZ-BAEZA, FRANCISCO;DURAND, GAEL;BARCELO, DAMIA;MESSEGUER, ANGEL, TETRAHEDRON LETT., 31,(1990) N3, C. 3359-3362
  作者：SANCHEZ-BAEZA, FRANCISCO、DURAND, GAEL、BARCELO, DAMIA、MESSEGUER, ANGEL

  DOI：——

  日期：——
• METHODS FOR DETERMINING THE PRESENCE OR ABSENCE OF CONTAMINANTS IN A SAMPLE
  申请人：K & D LABORATORIES, INC.

  公开号：US20140116112A1

  公开（公告）日：2014-05-01

  Methods are provided for rapidly determining the presence or absence of large numbers of contaminants in a test sample, such as a raw material intended for use in the preparation of a nutraceutical. The disclosed methods employ gas chromatography-mass spectrometry techniques together with the specific use of software in combination with a database to analyze data collected after ionization of the sample and determine the presence or absence of the contaminants in the sample.
• 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：US20210285921A1

  公开（公告）日：2021-09-16

  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 pre-treatment 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.