1,2-二氯氟乙烯 | 13245-54-0

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 乙烯基卤化物
• 中文名称: 1,2-二氯氟乙烯
• 英文名称: trans-dichlorofluoroethene
• 英文别名: 1,2-dichlorofluoroethylene；(E)-1,2-dichloro-1-fluoroethene
• CAS: 13245-54-0
• 化学式: C₂HCl₂F
• 分子量: 114.934
• InChiKey: LWDGFGTYBDRKHU-UPHRSURJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 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：
  0
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1,2-二氯氟乙烯 在 正丁基锂 作用下， 以 乙醚 、 正戊烷 为溶剂， 生成 ((Z)-1,2-dichloro-2-fluoro-vinyl)-lithium
  参考文献：
  名称：

  Preparation and reactions of some fluorine-containing vinyl organometallic compounds

  摘要：

  DOI：

  10.1021/jo01265a056
• 作为产物：
  描述：

  氟三氯乙烯 在 vitamin B12 、 titanium(III) citrate 作用下， 以 水 为溶剂， 生成 1,1-二氯-2-氟乙烯 、 (Z)-1,2-dichloro-1-fluoroethylene 、 1,2-二氯氟乙烯
  参考文献：
  名称：

  Corrinoid-Mediated Reduction of Tetrachloroethene, Trichloroethene, and Trichlorofluoroethene in Homogeneous Aqueous Solution:  Reaction Kinetics and Reaction Mechanisms

  摘要：

  It is shown that in homogeneous aqueous solution containing titanium(III) citrate or titanium(III)-NTA as bulk electron donor, cobalamin, cobinamide, and cobamide are effective electron transfer mediators for the reduction of tetrachloroethene (PCE), trichloroethene (TCE), and trichlorofluoroethene (TCFE). Far a given chlorinated ethene, the reaction rate varied only slightly with pH and type of corrinoid present and was about 5 and 50 times faster for PCE as compared to TCFE and TCE, respectively. Evidence is presented that the first and rate-limiting step of the reduction of PCE, TCE, and TCFE by super-reduced corrinoids is a dissociative one-electron transfer yielding the corresponding vinyl radicals. Furthermore, the elimination of a chloride radical from the 1,1-dichlorovinyl radical yielding chloroacetylene and subsequently acetylene is proposed to account for the direct formation of acetylene out of TCE. Finally, it is demonstrated that at higher reduction potentials the corrinoid mediators may be blocked by the formation of addition products.

  DOI：

  10.1021/es9603867

文献信息

• PROCESS FOR THE PRODUCTION OF CHLORINATED AND/OR FLUORINATED PROPENES
  申请人：Tirtowidjojo Max M.

  公开号：US20110083955A1

  公开（公告）日：2011-04-14

  The present invention provides one-step processes for the production of chlorinated and/or fluorinated propenes. The processes provide good product yield with low, e.g., less than about 20%, or even less than 10%, concentrations of residues/by-products. Advantageously, the processes may be conducted at low temperatures than 500° C. so that energy savings are provided, and/or at higher pressures so that high throughputs may also be realized. The use of catalysts or initiators may provide additional enhancements to conversion rates and selectivity, as may adjustments to the molar ratio of the reactants.

  本发明提供了用于生产氯化和/或氟化丙烯的一步法工艺。这些工艺提供了良好的产品产量，残留物/副产品的浓度低，例如低于约20%，甚至低于10%。优点是，这些工艺可以在低于500°C的低温下进行，从而提供节能，并且可以在较高的压力下进行，以实现较高的产量。使用催化剂或引发剂可能会提供对转化率和选择性的额外增强，调整反应物的摩尔比也可能有所帮助。
• Competition between Hydrogen Fluoride and Hydrogen Chloride Molecular Elimination Channels in the Infrared Multiple-photon Decomposition of 1,2-Dichloro-1,1-difluoroethane
  作者：Yo-ichi Ishikawa、Shigeyoshi Arai

  DOI：10.1246/bcsj.57.681

  日期：1984.3

  multiple-photon decomposition of CClF2CH2Cl. The spectra were composed of emissions attributable to vibrationally excited HF* and HCl*. The emission yield of HF* increased rapidly with an increase in the fluence, while the yield of HCl* showed a maximum at 20 J cm−2. These results suggest that the HF and HCl molecular elimination channels compete with each other in the unimolecular decomposition of highly

  在 CClF2CH2Cl 的红外多光子分解中测量了时间分辨红外发射光谱。光谱由可归因于振动激发的 HF* 和 HCl* 的发射组成。HF* 的发射产率随着注量的增加而迅速增加，而 HCl* 的产率在 20 J cm-2 时达到最大值。这些结果表明 HF 和 HCl 分子消除通道在高度振动激发的母体分子的单分子分解中相互竞争。随机轨迹计算提供了对这里观察到的 CClF2CH2Cl 和之前观察到的 CHClFCHClF 的 HF 和 HCl 产量的通量依赖性的令人满意的描述。
• Infrared laser multiphoton dissociation of 1,2-dichloro-1,1-difluoroethane (CF2ClCH2Cl)
  作者：T. Yano、S. Ozaki、H. Ogura、E. Tschuikow-Roux

  DOI：10.1021/j100253a013

  日期：1985.3
• Preparation and reactions of some fluorine-containing vinyl organometallic compounds
  作者：F. G. Drakesmith、Ronald Dawson Richardson、Oliver John Stewart、Paul Tarrant

  DOI：10.1021/jo01265a056

  日期：1968.1
• Corrinoid-Mediated Reduction of Tetrachloroethene, Trichloroethene, and Trichlorofluoroethene in Homogeneous Aqueous Solution:  Reaction Kinetics and Reaction Mechanisms
  作者：Guy Glod、Werner Angst、Christof Holliger、René P. Schwarzenbach

  DOI：10.1021/es9603867

  日期：1997.1.1

  It is shown that in homogeneous aqueous solution containing titanium(III) citrate or titanium(III)-NTA as bulk electron donor, cobalamin, cobinamide, and cobamide are effective electron transfer mediators for the reduction of tetrachloroethene (PCE), trichloroethene (TCE), and trichlorofluoroethene (TCFE). Far a given chlorinated ethene, the reaction rate varied only slightly with pH and type of corrinoid present and was about 5 and 50 times faster for PCE as compared to TCFE and TCE, respectively. Evidence is presented that the first and rate-limiting step of the reduction of PCE, TCE, and TCFE by super-reduced corrinoids is a dissociative one-electron transfer yielding the corresponding vinyl radicals. Furthermore, the elimination of a chloride radical from the 1,1-dichlorovinyl radical yielding chloroacetylene and subsequently acetylene is proposed to account for the direct formation of acetylene out of TCE. Finally, it is demonstrated that at higher reduction potentials the corrinoid mediators may be blocked by the formation of addition products.