(2,3,5,6-tetrachloro-4-hydroxyphenoxy)acetic acid | 951-11-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (2,3,5,6-tetrachloro-4-hydroxyphenoxy)acetic acid
• 英文别名: 2,3,5,6-Tetrachlor-4-hydroxy-phenoxyessigsaeure；2,3,5,6-Tetrachlor-4-hydroxyphenoxyessigsaeure；2-(2,3,5,6-Tetrachloro-4-hydroxyphenoxy)acetic acid
• CAS: 951-11-1
• 化学式: C₈H₄Cl₄O₄
• 分子量: 305.929
• InChiKey: DSBGFBLCXGDLFA-UHFFFAOYSA-N

物化性质

• 熔点：
  219-220 °C(Solv: benzene (71-43-2); ethanol (64-17-5))
• 沸点：
  424.5±40.0 °C(Predicted)
• 密度：
  1.791±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (2,3,5,6-tetrachloro-4-hydroxyphenoxy)acetic acid 在 lithium hydroxide 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 三乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 46.0h， 生成
  参考文献：
  名称：

  Preparation of Pentachlorophenol Derivatives and Development of a Microparticle-Based On-Site Immunoassay for the Detection of PCP in Soil Samples

  摘要：

  Pentachlorophenol (PCP) is used as a herbicide in agriculture and as an insecticide for termite control. Because of the apparent hazard associated with its usage, there is a need for an efficient and economic on-site screening method. A 5-min on-site test has been developed for the detection of PCP based on the OnTrak format, a successful Roche on-site test format for drugs of abuse, utilizing the principle of latex agglutination immunoassay. The test detects 1 ppm of PCP in soil samples.

  DOI：

  10.1021/jf0010578
• 作为产物：
  描述：

  四氯氰醌 、 溴乙酸 在 sodium hydroxide 作用下， 反应 4.0h， 以79%的产率得到(2,3,5,6-tetrachloro-4-hydroxyphenoxy)acetic acid
  参考文献：
  名称：

  Preparation of Pentachlorophenol Derivatives and Development of a Microparticle-Based On-Site Immunoassay for the Detection of PCP in Soil Samples

  摘要：

  Pentachlorophenol (PCP) is used as a herbicide in agriculture and as an insecticide for termite control. Because of the apparent hazard associated with its usage, there is a need for an efficient and economic on-site screening method. A 5-min on-site test has been developed for the detection of PCP based on the OnTrak format, a successful Roche on-site test format for drugs of abuse, utilizing the principle of latex agglutination immunoassay. The test detects 1 ppm of PCP in soil samples.

  DOI：

  10.1021/jf0010578