3-bromo-5-sulfanylbenzonitrile | 1374518-04-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯硫酚类
• 英文名称: 3-bromo-5-sulfanylbenzonitrile
• 英文别名: 3-bromo-5-mercaptobenzonitrile
• CAS: 1374518-04-3
• 化学式: C₇H₄BrNS
• 分子量: 214.085
• InChiKey: JHKJRKRCMQEYSN-UHFFFAOYSA-N

物化性质

• 沸点：
  278.9±30.0 °C(Predicted)
• 密度：
  1.68±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  24.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-bromo-5-sulfanylbenzonitrile 在 氯化亚砜 、 双氧水 作用下， 以 乙腈 为溶剂， 反应 32.0h， 生成 3-Bromo-5-cyano-benzenesulfonamide
  参考文献：
  名称：

  WO2023/61263

  摘要：

  公开号：
• 作为产物：
  描述：

  3-溴-5-氟苯腈 在 sodium sulfide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 22.0h， 生成 3-bromo-5-sulfanylbenzonitrile
  参考文献：
  名称：

  [EN] NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES
  [FR] NOUVEAUX COMPOSÉS HÉTÉROARYLE-TRIAZOLE EN TANT QUE PESTICIDES

  摘要：

  本发明涉及一种新颖的杂环芳基-三唑化合物，其一般式为（I），其中结构元素X、R1、R2、R3、R4和R5的含义如描述中所述，以及包含这些化合物的配方和组合物，用于控制包括节肢动物和昆虫在内的动物害虫，用于植物保护，并用于控制动物体表寄生虫。

  公开号：

  WO2021105091A1

文献信息

• About the reaction of aryl fluorides with sodium sulfide: investigation into the selectivity of substitution of fluorobenzonitriles to yield mercaptobenzonitriles via SNAr displacement of fluorine
  作者：Tony Taldone、Pallav D. Patel、Hardik J. Patel、Gabriela Chiosis

  DOI：10.1016/j.tetlet.2012.03.032

  日期：2012.5

  In this report we describe a simple synthesis of mercaptobenzonitriles from the reaction of fluorobenzonitriles with Na2S in DMF at room temperature and following direct treatment with Zn/HCl. Significantly, 2- and 4-fluorobenzonitriles substituted with chlorine or bromine, from the reaction of but not iodine, undergo selective substitution of fluorine at room temperature to yield synthetically useful halo-substituted mercaptobenzonitriles. (C) 2012 Elsevier Ltd. All rights reserved.
• LAMINATED STRUCTURE, METHOD FOR PRODUCING SAME, AND ELECTRONIC ELEMENT COMPRISING SAME
  申请人：Tanaka Kenta

  公开号：US20110177312A1

  公开（公告）日：2011-07-21

  A laminated structure comprising an electrode, a polymer binding layer arranged on the electrode, and an electrically conductive organic material layer arranged on the polymer binding layer, wherein the polymer binding layer comprises an aromatic polymeric compound which has a structure represented by formula (I) [wherein Ar represents a conjugated divalent group which may have a substituent, provided that when there are multiple Ar's, the Ar's may be the same as or different from each other; and n represents an integer of 1 or greater] and has a number average molecular weight of 1×10 3 to 1×10 8 inclusive in terms of polystyrene content, the polymer binding layer is bonded to the electrode via a chemical bond between the aromatic polymeric compound and the surface of the electrode, and an electrically conductive organic material that composes a layer included in the electrically conductive organic material layer and arranged adjacent to the polymer binding layer has a number average molecular weight of 3×10 2 to 1×10 8 inclusive in terms of polystyrene content.