苯胺磷砜 | 31972-44-8

• 物质功能分类: 化学试剂 - 有机试剂 - 砜、亚砜类化合物
• 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: 苯胺磷砜
• 中文别名: 苯线磷砜
• 英文名称: fenamiphos sulfone
• 英文别名: N-[ethoxy-(3-methyl-4-methylsulfonylphenoxy)phosphoryl]propan-2-amine
• CAS: 31972-44-8
• 化学式: C₁₃H₂₂NO₅PS
• 分子量: 335.361
• InChiKey: LVNYJXIBJFXIRZ-UHFFFAOYSA-N

物化性质

• 熔点：
  84-86°C
• 沸点：
  456.7±55.0 °C(Predicted)
• 密度：
  1.209±0.06 g/cm3(Predicted)
• 闪点：
  >80 °C
• 溶解度：
  可溶于氯仿（少许）、甲醇（少许）
• 碰撞截面：
  179.48 Ų [M+H]+ [CCS Type: TW]
• 保留指数：
  2384.3

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  90.1
• 氢给体数：
  1
• 氢受体数：
  6

安全信息

• 危险等级：
  6.1(a)
• 危险品标志：
  T+,N
• 安全说明：
  S22,S28,S36/37,S45,S60,S61
• 危险类别码：
  R50/53,R28
• WGK Germany：
  3
• 危险品运输编号：
  UN 3464
• 海关编码：
  2931900090
• 包装等级：
  I
• 危险类别：
  6.1(a)

反应信息

• 作为产物：
  描述：

  苯线磷亚砜 在 perfluoro cis-2-n-butyl-3-n-propyloxaziridine 作用下， 以 various solvent(s) 为溶剂， 反应 8.0h， 以90%的产率得到苯胺磷砜
  参考文献：
  名称：

  全氟顺式-2,3-二烷基恶唑烷酮在氨基磷酸酯，硫代磷酸酯和硫代磷酸酯农用化学品中的选择性硫氧化

  摘要：

  几个有机磷农药2A -g与硫醚，磷酰胺，硫代磷酰，和phosphorothionic功能用全氟反应顺式-2- Ñ丁基-3- Ñ -propyloxaziridine 1。硫化物的选择性氧化产生了亚砜衍生物3a- g，产率很高，而不会过度氧化成砜产物。亚砜3a-e在温和条件下进一步氧化为相应的砜4a-e。所有产品本身都是分析环境标准所感兴趣的，并且详细描述了其制备方法。

  DOI：

  10.1016/0040-4020(95)00413-3

文献信息

• Vaporizable tobacco wax compositions and container thereof
  申请人：Bond Street Manufacturing LLC

  公开号：US10918127B2

  公开（公告）日：2021-02-16

  The invention relates to tobacco wax compositions suitable for use in a vaporizer. The tobacco wax may comprise additional excipients including vapor agents, penetration agents, buffer agents, and rheological agents. The composition contains nicotine. The tobacco wax composition leaves a minimum of residue in the vaporizer when used. In another aspect, the invention relates to a portion-sized container (“pod”) of a tobacco wax composition for administration to a mammal or person. The pod is intended for use in a personal (or other) vaporizer.

  本发明涉及适用于蒸发器的烟草蜡组合物。烟蜡可包含其他辅料，包括蒸发剂、渗透剂、缓冲剂和流变剂。该组合物含有尼古丁。使用时，烟草蜡组合物在蒸发器中的残留物最少。另一方面，本发明涉及一种用于哺乳动物或人的烟草蜡组合物的分装容器（"荚"）。豆荚用于个人（或其他）喷雾器。
• 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。
• 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.
• Vaporizable Tobacco Wax Compositions and Container thereof
  申请人：Bond Street Manufacturing LLC

  公开号：US20190045834A1

  公开（公告）日：2019-02-14

  The invention relates to tobacco wax compositions suitable for use in a vaporizer. The tobacco wax may comprise additional excipients including vapor agents, penetration agents, buffer agents, and rheological agents. The composition contains nicotine. The tobacco wax composition leaves a minimum of residue in the vaporizer when used. In another aspect, the invention relates to a portion-sized container (“pod”) of a tobacco wax composition for administration to a mammal or person. The pod is intended for use in a personal (or other) vaporizer.
• Vaporizable Tobacco Wax Compositions and Container Thereof
  申请人：Bond Street Manufacturing LLC

  公开号：US20210007389A1

  公开（公告）日：2021-01-14

  The invention relates to tobacco wax compositions suitable for use in a vaporizer. The tobacco wax may comprise additional excipients including vapor agents, penetration agents, buffer agents, and theological agents. The composition contains nicotine. The tobacco wax composition leaves a minimum of residue in the vaporizer when used. In another aspect, the invention relates to a portion-sized container (“pod”) of a tobacco wax composition for administration to a mammal or person. The pod is intended tor use in a personal (or other) vaporizer.