1-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-difluoromethyl-4,5-dihydro-3-methyl-1,2,4-triazol-5(1H)-one | 97986-19-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-difluoromethyl-4,5-dihydro-3-methyl-1,2,4-triazol-5(1H)-one
• 英文别名: 1-(4-Chloro-2-fluoro-5-hydroxyphenyl)-4-difluoromethyl-3-methyl-1,2,4-triazolinone；2-(4-Chloro-2-fluoro-5-hydroxyphenyl)-4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one；2-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one
• CAS: 97986-19-1
• 化学式: C₁₀H₇ClF₃N₃O₂
• 分子量: 293.633
• InChiKey: QQTMXIJXDAOMKT-UHFFFAOYSA-N

物化性质

• 熔点：
  147-152 °C
• 沸点：
  365.0±52.0 °C(Predicted)
• 密度：
  1.68±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  56.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-difluoromethyl-4,5-dihydro-3-methyl-1,2,4-triazol-5(1H)-one 生成 methyl 2-[2-chloro-4-fluoro-5-(4-difluoromethyl-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl)phenoxy]propionate
  参考文献：
  名称：

  MARAVETZ, LESTER L.

  摘要：

  DOI：
• 作为产物：
  描述：

  2-(4-Chloro-2-fluoro-5-methoxyphenyl)-4-(difluoromethyl)-5-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one 生成 1-(4-chloro-2-fluoro-5-hydroxyphenyl)-4-difluoromethyl-4,5-dihydro-3-methyl-1,2,4-triazol-5(1H)-one
  参考文献：
  名称：

  MARAVETZ, LESTER L.

  摘要：

  DOI：

文献信息

• Substituted benzene compounds, process for their preparation, and herbicidal and defoliant compositions containing them
  申请人：ISK Americas Incorporated

  公开号：US06355799B1

  公开（公告）日：2002-03-12

  Novel herbicidal and defoliant substituted aniline derived compounds represented by general structure (I) are described. W, X, Y, Z, and Q are as defined in the disclosure. Also described are the processes for the manufacture of these compounds and agriculturally suitable compositions containing these as active ingredients which are useful as herbicides for general or selective pre-emergent or post-emergent control of undesired plant species and defoliants at very low concentrations of these biologically active compounds.

  描述了由一般结构（I）代表的新型除草剂和脱叶剂取代苯胺衍生化合物。其中，W、X、Y、Z 和 Q 如披露中所定义。还描述了制造这些化合物的过程以及含有这些化合物作为活性成分的农业适用组合物，这些组合物可作为除草剂用于一般或选择性的前期或后期控制不受欢迎的植物物种和脱叶剂，且这些生物活性化合物的浓度非常低。
• Herbicidal aryl triazolinones
  申请人：FMC Corporation

  公开号：US04743291A1

  公开（公告）日：1988-05-10

  Herbicidal aryl triazolinones include the compounds of the formula ##STR1## where X is preferably halogen such as fluorine, Y is preferably halogen such as chlorine, R.sup.1 is preferably methyl, R.sup.2 is preferably CHF.sub.2, R.sup.3 is preferably CH(CH.sub.3), and ##STR2## is --NH.sub.2 or the residue of a primary or secondary amine or of a sulfonamide.

  除草剂芳基三唑酮包括以下化合物：其中X最好是卤素，如氟，Y最好是卤素，如氯，R.sup.1最好是甲基，R.sup.2最好是CHF.sub.2，R.sup.3最好是CH(CH.sub.3)，以及##STR2##是--NH.sub.2或者是一级或二级胺或磺胺基团的残基。
• Herbicidal aryloxyphenyltriazolinones and related compounds
  申请人：FMC Corporation

  公开号：US05084085A1

  公开（公告）日：1992-01-28

  Herbicidal aryloxyphenyltriazolinones compounds which are ring-substituted aryloxyphenyltriazolinones, such as compounds of the formula ##STR1## where Z is O, S, NH, or alkylamino; and where R.sup.2 is, for instance, C.sub.2 H.sub.5 OCO--CH(CH.sub.3)--O-- or CH.sub.3 SO.sub.2 --NH--CO--CH(CH.sub.3)--O--.

  除草剂芳氧基苯基三唑烷酮化合物是环取代芳氧基苯基三唑烷酮化合物，例如公式##STR1##中的化合物，其中Z为O、S、NH或烷基氨基；R.sup.2为C.sub.2 H.sub.5 OCO--CH(CH.sub.3)--O--或CH.sub.3 SO.sub.2 --NH--CO--CH(CH.sub.3)--O--。
• LESTER;LESTER;THEODORIDIS, GEORGE
  作者：LESTER、LESTER、THEODORIDIS, GEORGE

  DOI：——

  日期：——
• KADZIOKA, MITSURU;TSUSIMA, ATSUSI;XATIYA, JOITI;TANIGUTI, KUNIAKI
  作者：KADZIOKA, MITSURU、TSUSIMA, ATSUSI、XATIYA, JOITI、TANIGUTI, KUNIAKI

  DOI：——

  日期：——