3-(2-溴苯基)-4H-1,2,4-噻唑 | 118863-61-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 3-(2-溴苯基)-4H-1,2,4-噻唑
• 英文名称: 3-(2-Bromophenyl)-4H-1,2,4-triazole
• 英文别名: 5-(2-bromophenyl)-1H-1,2,4-triazole
• CAS: 118863-61-9
• 化学式: C₈H₆BrN₃
• mdl: MFCD17926505
• 分子量: 224.06
• InChiKey: LSWFPACWJIHFDN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090

SDS

3-(2-溴苯基)-4H-1,2,4-噻唑MSDS英文版

反应信息

• 作为产物：
  描述：

  溴苯 、 3-diazo-3H-[1,2,4]triazole 生成 3-(4-溴苯基)-1H-[1,2,4]噻唑 、 3-(2-溴苯基)-4H-1,2,4-噻唑 、 3-bromo-1-phenyl-1H-1,2,4-triazole 、 5-bromo-1-phenyl-1H-1,2,4-triazole
  参考文献：
  名称：

  3-重氮基3H-1,2,4-三唑与取代苯和硝基化合物的单峰反应中的取代基和配位效应

  摘要：

  3-重氮-3-2,1,2,4-三唑转化为单线态3,1,2,4-三唑-3-亚烷基，其（1）影响苯的亲电取代，以及（2）与苯并基取代基和硝基化合物配位给出分解或重排产物。

  DOI：

  10.1016/s0040-4039(00)95476-5

文献信息

• 7-Oxo-4-thia-1-azabicyclo(3.2.0)hept-2-ene derivatives
  申请人：HOECHST UK LIMITED

  公开号：EP0127847A1

  公开（公告）日：1984-12-12

  A process for the preparation of a compound of the general formula I is described according to which a compound of the general formula IIb is reacted with a compound of formula III in which L represents a leaving group, generally carrying out the reaction in the presence of a base. R' represents an alkylene, alkenylene or alkynylene group, having from 1 to 4 carbon atoms, and R2 represents a heterocyclic group having a five-membered or 6-membered ring with 1 to 4 heteroatoms, selected from oxygen sulfur and nitrogen, and being linked to the adjacent sulphur atom via a ring carbon atom.

  通式 I 化合物的制备工艺 的制备方法，根据该方法，通式 IIb 的化合物 与通式 III 的化合物反应 其中 L 代表离去基团，通常在碱存在下进行反应。 R' 代表具有 1 至 4 个碳原子的亚烷基、亚烯基或亚炔基，以及 R2 代表杂环基团，具有 1 至 4 个杂质原子的五元环或六元环，这些杂质原子可选 自氧、硫和氮，并通过环上的碳原子与相邻的硫原子相连。
• MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO
  申请人：Dow AgroSciences LLC

  公开号：EP2970176A1

  公开（公告）日：2016-01-20
• [EN] MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO<br/>[FR] MOLÉCULES AYANT CERTAINES UTILITÉS PESTICIDES, ET DES INTERMÉDIAIRES, DES COMPOSITIONS ET DES PROCÉDÉS ASSOCIÉS À CELLES-CI
  申请人：DOW AGROSCIENCES LLC

  公开号：WO2014160031A1

  公开（公告）日：2014-10-02

  This disclosure relates to the field of molecules having pesticidal utility against pests in phyla Nematoda, Arthropoda, and/or Mollusca, processes to produce such molecules and intermediates used in such processes, compositions containing such molecules, and processes of using such molecules against such pests. These molecules may be used, for example, as nematicides, acaricides, insecticides, miticides, and/or molluscicides. This document discloses molecules having the following formula (Formula One).
• [EN] MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO<br/>[FR] MOLÉCULES AYANT CERTAINS EFFETS PESTICIDES, INTERMÉDIAIRES, COMPOSITIONS ET PROCÉDÉS ASSOCIÉS
  申请人：DOW AGROSCIENCES LLC

  公开号：WO2016018875A1

  公开（公告）日：2016-02-04

  This disclosure relates to the field of molecules having pesticidal utility against pests in Phyla Nematoda, Arthropoda, and/or Mollusca, processes to produce such molecules and intermediates used in such processes, compositions containing such molecules, and processes of using such molecules against such pests. These molecules may be used, for example, as nematicides, acaricides, insecticides, miticides, and/or molluscicides. This document discloses molecules having the following formula ("Formula One").
• Substituent and coordination effects in singlet reactions of 3-diazo-3H-1,2,4-triazoles with substituted benzenes and nitro compounds
  作者：J Glinka、D Fiscus、C.B Rao、H Shechter

  DOI：10.1016/s0040-4039(00)95476-5

  日期：1987.1

  3-Diazo-3-1,2,4-triazoles convert to singlet 3-1,2,4-triazol-3-ylidenes which (1) effect directed electrophilic substitutions of benzenes and (2) coordinate with benzenoid substituents and nitro compounds to give decomposition or rearrangement products.

  3-重氮-3-2,1,2,4-三唑转化为单线态3,1,2,4-三唑-3-亚烷基，其（1）影响苯的亲电取代，以及（2）与苯并基取代基和硝基化合物配位给出分解或重排产物。