1,1-二氯-2,2,2-三氟-乙基 | 32197-21-0

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氟化物
• 中文名称: 1,1-二氯-2,2,2-三氟-乙基
• 英文名称: 1,1-dichloro-2,2,2-trifluoro-ethyl
• 英文别名: β,β,β-Trifluor-α,α-dichlorethyl；2,2-Dichloro-1,1,1-trifluoroaethylradikal；1,1-Dichlortrifluorethyl-Radikal
• CAS: 32197-21-0
• 化学式: C₂Cl₂F₃
• 分子量: 151.923
• InChiKey: ZYRWSORLFOJPDH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  二氯三氟乙烷 在 四氯化碳 作用下， 2.85 ℃ 、5.33 kPa 条件下， 生成 1,1-二氯-2,2,2-三氟-乙基
  参考文献：
  名称：

  Kinetics of Cl(2P) reactions with CF3CHCl2, CF3CHFCl, and CH3CFCl2

  摘要：

  AbstractThe rate coefficients for the removal of Cl atoms by reaction with three HCFCs, CF3CHCl2 (HCFC‐123), CF3CHFCl (HCFC‐124), and CH3CFCl2 (HCFC 141b), were measured as a function of temperature between 276 and 397 K. CH3CF2Cl (HCFC‐142b) was studied only at 298 K. The Arrhenius expressions obtained are: k1 = (3.94 ± 0.84)× 10−12 exp[−(1740 ± 100)/T] cm3 molecule−1 s−1 for CF3CHCl2 (HCFC 123); k2 = (1.16 ± 0.41) × 10−12 exp[−(1800 ± 150)/T] cm3 molecule−1 s−1 for CF3CHFCl (HCFC 124); and k3 = (1.6 ± 1.1) × 10−12 exp[−(1800 ± 500)/T] cm3 molecule−1 s−1 for CH3CFCl2 (HCFC 141b). In case of HCFC 141b, non‐Arrhenius behavior was observed at temperatures above ca. 350 K and is attributed to the thermal decomposition of CH2CFCl2 product into Cl + CH2CFCl. In case of HCFC‐142b, only an upper limit for the 298 K value of the rate coefficient was obtained. The atmospheric significance of these results are discussed. © 1993 John Wiley & Sons, Inc.

  DOI：

  10.1002/kin.550251005

文献信息

• Reaction of phenylchlorocarbene and diphenylcarbene with the carbon-chlorine bond: kinetics and mechanisms
  作者：Michelle B. Jones、Vincent M. Maloney、Matthew S. Platz

  DOI：10.1021/ja00032a034

  日期：1992.3

  The reactions of phenylchlorocarbene (PCC) and diphenylcarbene (DPC) with carbon-chlorine bonds were investigated by laser flash photolysis techniques, product studies, and electrochemical methods. The data with both carbenes are consistent with a polar chlorine atom transfer to form radical pairs. The PCC reaction can be thought of as an inner sphere electron transfer from the carbene to the carbon-halogen

  通过激光闪光光解技术、产物研究和电化学方法研究了苯基氯卡宾 (PCC) 和二苯基卡宾 (DPC) 与碳-氯键的反应。两种卡宾的数据与极性氯原子转移形成自由基对一致。PCC 反应可以被认为是从卡宾到碳卤键的内球电子转移，其中在过渡态中形成了部分碳卤键。过渡态被认为涉及闭壳和开壳单线态表面之间的交叉。DPC 与氯供体反应获得的数据类似于 PCC 获得的数据，但更难以解释，因为与 C-Cl 键反应的状态的多样性尚不清楚。40 个参考文献，10 个图，9 个标签。
• Kinetics and Thermochemistry of the OH Radical Reaction with CF₃CCl₂H and CF₃CFClH
  作者：Takahiro Yamada、Tunchen D. Fang、Philip H. Taylor、Rajiv J. Berry

  DOI：10.1021/jp993577f

  日期：2000.6.1

  SAR predictions. The results of this study indicate that F substitution at the reaction site has a significant (reductive) effect on hydrochlorofluorocarbon (HCFC) reactivity. This result was also observed in prior studies of CHFClsub 2} and CHFsub 2}Cl. A similar effect in HCFC reactivity was not observed for changes in F substitution beta} to the reaction site, indicating that the electron-withdrawing

  报告了羟基 (OH) 自由基与 CFsub 3}CClsub 2}H (kappa}sub 1}) 和 CFsub 3}CFClH (kappa}sub) 气相反应的速率系数2}）在扩展的温度范围内。在总压力为 740 +-} 10 Torr 的缓慢流动条件下，使用激光光解/激光诱导荧光 (LP/LIF) 技术进行测量。kappa}sub 1} 和 kappa}sub 2} 的较低温度测量结果与之前使用不同技术的测量结果一致。数据的 Arrhenius 图表现出显着的曲率，最好用以下修改后的 Arrhenius 表达式（cmsup 3} 分子sup minus}1} ssup minus}1}，2sigma} 误差限制）来描述： kappa}sub 1} (296-866 K) = (2.20 +-} 0.25) x 10sup minus}19}
• GIERCZAK, TOMASZ;TALUKDAR, RANAJIT;VAGHJIANI, GHANSHYAM L.;LOVEJOY, EDWAR+, J. GEOPHYS. RES. D, 96,(1991) N, C. 5001-5011
  作者：GIERCZAK, TOMASZ、TALUKDAR, RANAJIT、VAGHJIANI, GHANSHYAM L.、LOVEJOY, EDWAR+

  DOI：——

  日期：——