2,3,5,6-四氯苯-1-硫醇 | 4707-16-8

• 物质功能分类: 化学试剂 - 有机试剂 - 硫醇盐
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯硫酚类
• 中文名称: 2,3,5,6-四氯苯-1-硫醇
• 英文名称: 2,3,5,6-Tetrachlorobenzenethiol
• 英文别名: 2,3,5,6-tetrachloro-thiophenol；2,3,5,6-Tetrachlor-thiophenol；2,3,5,6-Tetrachlor-benzolthiol；2,3,5,6-Tetrachlorobenzolthiol；2,3,5,6-Tetrachlorthiophenol
• CAS: 4707-16-8
• 化学式: C₆H₂Cl₄S
• 分子量: 247.96
• InChiKey: IUPWBUULPWMLDU-UHFFFAOYSA-N

物化性质

• 熔点：
  105 °C
• 沸点：
  316.0±37.0 °C(Predicted)
• 密度：
  1.654±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  11
• 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：
  1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2,3,5,6-四氯苯-1-硫醇 在 碘 作用下， 以 二甲基亚砜 、 甲苯 为溶剂， 反应 20.0h， 生成 bis-(2,3,5,6-tetrachloro-phenyl)-disulfide
  参考文献：
  名称：

  Metabolism of 2,3,5,6-tetrachloronitrobenzene (tecnazene) in rat

  摘要：

  1. The metabolic fate of [U-C-14]-2,3,5,6-tetrachloronitrobenzene (tenazene) has been determined in the male and female rat following a single dose of 1 mg/kg and in surgically prepared, bile-duct-cannulated rats following a single oral dose of 135 mg/kg.2. Radioactivity in the female rat n as excreted mainly in urine (82%). The male rat, however, excreted approximately equal amounts of radioactivity in urine and faeces (the latter via bile).3. The principal metabolic pathway was conjugation with glutathione (GSH) and concomitant nitro-displacement. The GSH-conjugate and related metabolites were excreted in the bile and ultimately in the urine as the mercapturic acid conjugate. The cysteine conjugate underwent beta-lyase-mediated metabolism to yield a thiol that underwent subsequent methylation to the thioanisole foilowed by S-oxidation.4. A novel tetrachloromethyldisulphide metabolite was also formed.

  DOI：

  10.3109/00498259609046689
• 作为产物：
  描述：

  1,2,4,5-四氯苯 在 1,2,3,4,5,6,7,8-八硫杂环辛烷 、 1,10-菲罗啉 、 copper dichloride 、 sodium t-butanolate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以64%的产率得到2,3,5,6-四氯苯-1-硫醇
  参考文献：
  名称：

  铜催化电子缺陷芳烃的CH键硫代反应中的元素硫作为硫化剂

  摘要：

  通过利用元素硫作为硫醇化剂和氧化剂，对缺电子的芳烃进行了铜催化的直接CH键硫醇化反应。各种缺乏电子的芳烃被证明适用于这种转变。初步的机理研究表明，该反应经历了一个自由基途径，其中三硫自由基阴离子（S3•-）可能起着至关重要的作用。同时，KIE实验表明，CH键断裂不参与速率确定步骤。

  DOI：

  10.1039/c7ob02036h

文献信息

• Process for making aryl chloromethyl sulfides
  申请人：The Dow Chemical Company

  公开号：US04014891A1

  公开（公告）日：1977-03-29

  The title compounds are prepared in excellent yields by reacting an alkali aromatic mercaptide with bromochloromethane in the presence of a quaternary ammonium salt having ten or more carbon atoms. Normally the chlorobromomethane is used in excess as the liquid reaction medium. Reaction temperatures are normally selected in the range of from about 20.degree. to about 65.degree. C.

  这些标题化合物是通过在十碳或更多碳原子的季铵盐的存在下，将碱性芳香硫醇与溴氯甲烷反应制备而成的，收率非常高。通常，氯溴甲烷作为液态反应介质过量使用。反应温度通常选择在约20℃至约65℃的范围内。
• Compositions for use in golf balls
  申请人：Bulpett A. David

  公开号：US20050245652A1

  公开（公告）日：2005-11-03

  A golf ball comprises a core, an outer cover layer, and, optionally, an intermediate layer disposed between the core and the outer cover layer. The outer cover layer may comprise a polyurethane or polyurea composition. At least one portion of the golf ball comprises a composition that enhances physical properties and/or performance characteristics (e.g., coefficient of restitution) of the golf ball. Preferably, the coefficient of restitution of the core is 0.8 or greater.

  高尔夫球由内核、外覆盖层和可选的中间层组成，外覆盖层可以包括聚氨酯或聚脲组成。高尔夫球的至少一部分包含一种增强物理特性和/或性能特征（例如反弹系数）的组合物。最好，内核的反弹系数为0.8或更高。
• COMPOSITIONS FOR USE IN GOLF BALLS
  申请人：Bulpett David A.

  公开号：US20080261722A1

  公开（公告）日：2008-10-23

  A golf ball including a core and at least one cover layer disposed about the core, wherein the core or the cover layer is formed from a composition comprising a base polymer, a crosslink initiator, and at least one additive comprising phenothiazine or a perhaloalkyl additive having a structure of: where R 1 or R 5 are —SZ, at least one of R 1 to R 5 is a perhaloalkyl, perhalocycloalkyl, or perhaloaryl substituent; the remainder of R 1 to R 5 are the same or different organic substituents or hydrogen; Z is a non-metal cation comprising quaternary ammonium, quaternary pyridinium, quaternary quinolinium, (organo)phosphonium, (organo)sulfonium, (organo)oxonium, (organo)iodonium, or (organo)azonium; and n is an integer of 1 or greater.

  一颗高尔夫球，包括一个核心和至少一层覆盖层，其中核心或覆盖层是由包含基础聚合物、交联引发剂和至少一种添加剂的组成物形成的，该添加剂包括苯并噻吩或具有以下结构的卤代烷基添加剂：其中R1或R5是—SZ，R1到R5中至少有一个是卤代烷基、卤代环烷基或卤代芳基取代基；R1到R5的其余部分是相同或不同的有机取代基或氢原子；Z是非金属阳离子，包括季铵盐、季吡啶盐、季喹啉盐、（有机）磷盐、（有机）硫盐、（有机）氧盐、（有机）碘盐或（有机）偶氮盐；n是大于等于1的整数。
• Compositions for Use in Golf Balls
  申请人：Bulpett David A.

  公开号：US20080176678A1

  公开（公告）日：2008-07-24

  A golf ball comprising a core and at least one layer disposed about the core, wherein at least one of the core or the layer is formed from a composition comprising a base polymer, a crosslink initiator, and an additive comprising an aromatic iodonium compound or an aromatic iodonium salt.

  一颗高尔夫球包括一个核心和至少一层沿核心排列的材料，其中核心或层中的至少一个是由包含基础聚合物、交联引发剂和添加剂的组合物形成的，该添加剂包括芳香碘化物或芳香碘化盐。
• Electroconductive polyolefin resin composition
  申请人：MITSUI TOATSU CHEMICALS, Inc.

  公开号：EP0058916A1

  公开（公告）日：1982-09-01

  An electroconductive polyolefin composition comprising (1) 100 parts by weight of a polyolefin resin, (2) 10 to 60 parts by weight of carbon black, (3) 0.1 to 6 parts by weight of sulfur and (4) at least 0.1 part by weight of one or two specified accelerators, and optionally containing 5 to 60 parts by weight of atactic polypropylene.

  一种导电聚烯烃组合物，包括：(1) 100 份（按重量计）聚烯烃树脂，(2) 10 至 60 份（按重量计）炭黑，(3) 0.1 至 6 份（按重量计）硫磺，(4) 至少 0.1 份（按重量计）一种或两种特定的促进剂，并可选择含有 5 至 60 份（按重量计）无规聚丙烯。