2,2-Dichloroethenol | 41857-27-6

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 乙烯基卤化物
• 英文名称: 2,2-Dichloroethenol
• 英文别名: 2,2-dichlorovinyl alcohol；dichlorovinyl alcohol；Dichlorvinylalkohol
• CAS: 41857-27-6
• 化学式: C₂H₂Cl₂O
• 分子量: 112.943
• InChiKey: UBFWRBFTXWHOGQ-UHFFFAOYSA-N

物化性质

• 沸点：
  124.4±35.0 °C(Predicted)
• 密度：
  1.501±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  5
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  敌敌畏 在 N-乙基吗啉 、 水 作用下， 以 乙腈 为溶剂， 生成 2,2-Dichloroethenol
  参考文献：
  名称：

  Role of Zr₆ Metal Nodes in Zr-Based Metal–Organic Frameworks for Catalytic Detoxification of Pesticides

  摘要：

  DOI：

  10.1021/acs.inorgchem.1c00653

文献信息

• OpdA, a bacterial organophosphorus hydrolase, prevents lethality in rats after poisoning with highly toxic organophosphorus pesticides
  作者：Steven B. Bird、Tara D. Sutherland、Chip Gresham、John Oakeshott、Colin Scott、Michael Eddleston

  DOI：10.1016/j.tox.2008.02.005

  日期：2008.5

  Orgamophosphorus (OP) pesticides poison more than 3,000,000 people everyyear in the developing world, mostly through intentional self-poisoning. Advances in medical therapy for OP poisoning have lagged, and current treatment is not highly effective with mortality of up to 40% in even the most advanced Western medical facilities. Administration of a broadly active bacterial OP hydrolase to patients in order to hydrolyze OPs in circulation might allow current therapies to be more effective. The objective of this work was to evaluate the efficacy of a new recombinant bacterial OP hydrolase (OpdA), cloned from Agrobacterium radiobacter, in rat models of two chemically distinct but highly toxic and rapidly acting OP pesticides: dichlorvos and parathion. Without OpdA treatment, median time to death in rats poisoned with 3 x LD50 of dichlorvos or parathion was 6 min and 25.5 min, respectively. Administration of a single dose of OpdA immediately after dichlorvos resulted in 100% survival at 24 h, with no additional antidotal therapy. After parathion poisoning, OpdA alone caused only a delay to death. However, an additional two doses of OpdA resulted in 62.5% survival at 24 h after parathion poisoning. In combination with pralidoxime therapy, a single dose of OpdA increased survival to 75% after parathion poisoning. Our results demonstrate that OpdA is able to improve survival after poisoning by two chemically distinct and highly toxic OP pesticides. (C) 2008 Elsevier Ireland Ltd. All rights reserved.
• The Reaction of OH Radicals with 1,1-di-, tri- and tetrachloroethylene
  作者：K. Kirchner、D. Helf、P. Ott、S. Vogt

  DOI：10.1002/bbpc.19900940116

  日期：1990.1

  AbstractThe kinetics and product formation of the homogeneous gas‐phase reactions of the OH radical with 1,1‐di‐, tri‐ and tetrachloroethylene were investigated at temperatures between 298–459 K, in the pressure range of 0.5–5.6 mbar. Measurements were made in a discharge‐flow apparatus, using helium as the carrier gas. The OH radical and the reaction products were detected by mass spectrometry. The rate constants were observed to be pressure independent in the case of 1,1‐di‐ and tetrachloroethylene but slightly pressure dependent in the case of trichloroethylene. The temperature dependencies can be expressed by the Arrhenius equation (in units of 1012 cm3 mol−1 s−1).k(T) = (0.136 ± 0.016) exp[(9.5 ± 0.4) kJ mol−1/RT] for 1,1‐dichloroethylene,k(T) = (0.470 ± 0.051) exp[(2.0 ± 0.5) kJ mol−1/RT] for trichloroethylene, andk(T) = (3.33 ± 0.19) exp[−(8.6 ± 0.1) kJ mol−1/RT] for tetrachloroethylene.The major products are: CH2OH — CCl2 for 1,1‐dichloroethylene; 2,2‐dichloroethenol and Cl for trichloroethylene; trichloroethenol, dichloroacetyl chloride, Cl, CHCl2 and phosgene for tetrachloroethylene.