Bis-trifluormethyl-trioxid | 1718-18-9

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代烷
• 英文名称: Bis-trifluormethyl-trioxid
• 英文别名: Trifluoro(trifluoromethoxyperoxy)methane
• CAS: 1718-18-9
• 化学式: C₂F₆O₃
• 分子量: 186.011
• InChiKey: JGFHBZWYOYWBRG-UHFFFAOYSA-N

物化性质

• 沸点：
  -17.08°C (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  Bis-trifluormethyl-trioxid 在 双(氟磺酰基)过氧化物 作用下， 生成 Trifluormethyl-fluorsulfonyl-peroxid
  参考文献：
  名称：

  Reactions of bis(trifluoromethyl) trioxide

  摘要：

  DOI：

  10.1021/ja00793a008
• 作为产物：
  描述：

  sodium 2,2,2-trifluoroacetate 在 fluorine 作用下， 生成 Bis-trifluormethyl-trioxid
  参考文献：
  名称：

  Bis(perfluoroalkyl) trioxides

  摘要：

  DOI：

  10.1021/ja00993a012

文献信息

• A kinetic and mechanistic study of the gas-phase reactions of OH radicals and Cl atoms with some halogenated acetones and their atmospheric implications
  作者：Sin�ad Carr、Dudley E. Shallcross、Carlos E. Canosa-Mas、John C. Wenger、Howard W. Sidebottom、Jack J. Treacy、Richard P. Wayne

  DOI：10.1039/b304298g

  日期：——

  Rate coefficients for the reactions of hydroxyl radicals and chlorine atoms with a series of halogenated acetones of the type CX3COCH3 (X = H, Cl, F) have been determined using a photolytic relative-rate technique at T = 298 K and at 760 Torr total pressure. The reactions studied and the rate coefficients obtained are shown in the table. Reaction Reaction number Rate coefficient/cm3 molecule−1 s−1

  羟基自由基和氯原子与一系列 CX3COCH3 型卤代丙酮（X = H、Cl、F）反应的速率系数已使用光解相对速率技术在 T = 298 K 和总温度为 760 Torr 时确定压力。所研究的反应和获得​​的速率系数列于表中。反应 反应数 速率系数/cm3 分子−1 s−1 OH + CH3COCH3 → 产物 (1) (2.2 ± 0.5) × 10−13 OH + CH2ClCOCH3 → 产物 (2) (4.2 ± 0.8) × 10−13 OH + CHCl2COCH3 → 产物 (3) (3.8 ± 0.8) × 10−13 OH + CCl3COCH3 → 产物 (4) (1.5 ± 0.3) × 10−14 OH + CH2FCOCH3 → 产物 (5) (2.1 ± 0.4) × 10−13 OH + CF3COCH3 → 产物 (6) (6.9 ± 1.3) × 10−15
• The conversion of perfluoro-olefins, perfluoroketones or perfluoroacids into perfluoroethers, perfluoroalkylperoxides or perfluorocarbons
  作者：R.N. Haszeldine

  DOI：10.1016/s0022-1139(00)83241-8

  日期：1985.8

  Part of a study to synthesise via radical reactions perfluoroalkanes containing oxygen is illustrated with the olefin (CF3)2C:C(CF3)2. Photochemical oxidation of the olefin with short reaction time gives the ketones CF3.CO.CF(CF3)2 (48% yield), CF3.O.CF2.CO.CF3, CF3.O.CF2.CO.CF(CF3)2 and CF3.CO.CF3. The epoxide is a by-product not an intermediate in these reactions.

  通过自由基反应合成含氧的全氟烷烃的部分研究用烯烃（CF 3）2 C：C（CF 3）2进行说明。用短的反应时间对烯烃进行光化学氧化，得到酮CF 3 .CO.CF（CF 3）2（48％收率），CF 3 .CF。CF 2 .CO.CF 3，CF 3 .O.CF 2。 CO.CF（CF 3）2和CF 3 .CO.CF 3。环氧化物是这些反应中的副产物而不是中间体。
• Kinetic study of the reactions of CF3O2 radicals with Cl and NO
  作者：Florent Louis、Donald R. Burgess, Jr.、Marie-The´rèse Rayez、Jean-Pierre Sawerysyn

  DOI：10.1039/a905933d

  日期：——

  Kinetic studies of the reactions CF3O2+Cl and CF3O2+NO were performed at room temperature in the gas phase using the discharge flow mass spectrometric technique (DFMS). The reactions were investigated under pseudo-first-order conditions with Cl or NO in large excess with respect to the CF3O2 radicals. The rate constant for the reaction CF3O2+NO was measured at 298 K and the value of (1.6±0.3)×10-11 cm3 molecule-1 s-1 is in very good agreement with all previous values. For the reaction CF3O2+Cl, we obtain a rate constant at 298 K of (4.2±0.8)×10-11 cm3 molecule-1 s-1 in excellent agreement with the only published value. Product analysis shows that this reaction occurs via the major reaction pathway CF3O2+Cl→CF3O+ClO at room temperature. In addition, an abinitio theoretical study was performed to gain insights on the different postulated reaction pathways. There is a significant disagreement between experimental and abinitio values recommended for the formation enthalpies of CF2O, CF3O and related molecules produced in this system. Consequently, we provide self-consistent values of enthalpies based on isodesmic reactions for the CF3O2+Cl reaction system using the G2, G2(MP2) and CBS-Q methods. These values are also compared with BAC-MP4 heats of formation calculated in this work.

  利用放电流质谱技术（DFMS）在室温下对气相中的 CF3O2+Cl 和 +NO 反应进行了动力学研究。在 Cl 或 NO 相对于 自由基大量过量的伪一阶条件下对反应进行了研究。在 298 K 条件下测量了 +NO 反应的速率常数，其值为 (1.6±0.3)×10-11 cm3 molecule-1 s-1，与之前的所有值非常吻合。对于 +Cl 反应，我们在 298 K 时得到的速率常数为 (4.2±0.8)×10-11 cm3 molecule-1 s-1，与唯一公布的数值非常一致。产物分析表明，该反应在室温下通过主要反应途径 +Cl→CF3O+ClO 发生。此外，还进行了一项非比寻常的理论研究，以深入了解不同的假定反应途径。对于该体系中产生的 CF2O、 和相关分子的形成焓，实验值和非比邻推荐值之间存在很大分歧。因此，我们使用 G2、G2(MP2) 和 CBS-Q 方法，根据 +Cl 反应体系的等效反应提供了自洽的焓值。这些值还与本研究中计算的 BAC-MP4 形成热进行了比较。
• The infrared spectra of gaseous 1,1,3,3-tetrachlorotetrafluoro-4-(trifluoromethyldioxy)butyl trifluoromethyl ether and 1,1,3,3-tetrachlorotetrafluoro-1,4-bis(trifluoromethoxy)butane
  作者：Juana Czarnowski

  DOI：10.1016/s0022-1139(00)83085-7

  日期：1987.10

  xy)butyl trifluoromethyl ether, CF3O(CF2CCl2)2O2CF3, was formed as one of the products in the reaction of CF3O3CF3 with CF2CCl2 at 322.6 - 342.5 K. It was isolated by fractional condensation between 213 and 243 K and characterized by molecular weight determination and 19F NMR spectrum. 1,1,3,3-Tetrachlorotetrafluoro-1,4-bis(trifluoromethoxy)butane, CF3O(CF2CCl2)2OCF3, was condensed as residue at 193

  作为CF 3 O 3 CF反应的产物之一，形成了1,1,3,3-四氯四氟-4-（三氟甲基二氧基）丁基三氟甲基醚CF 3 O（CF 2 CCl 2）2 O 2 CF 3。3与CF 2的CCl 2在322.6 - 342.5 K.它是由213和243 K的分级冷凝分离和表征由分子量测定和19 F NMR谱。1,1,3,3-四氯四氟-1,4-双（三氟甲氧基）丁烷，CF 3 O（CF 2 CCl 2）2 OCF3，在193ķ冷凝作为残余物从CF的反应3与CF 2的CCl 2 266 - 302.7 K，当[CF 2的CCl 2 ] / [CF 3 OF]≦0.5。通过气相色谱法和分子量测定对其进行表征。给出了两种化合物的红外光谱，为它们的表征提供了额外的支持。
• The reaction of CF3OOCF2OF with fluoroolefins
  作者：A. Russo、V. Montanari、W. Navarrini、Darryl D. DesMarteau

  DOI：10.1016/0022-1139(95)03243-7

  日期：1995.9

  The reaction of fluoroxydifluoromethyl trifluoromethyl peroxide, CF3OOCF2OF (1), with fluoroolefins leads to the formation of novel fluorinated peroxides as major products. When 1 was added to 1,2-dichloro-1,2-difluoroethylene, CFCl-CFCl, under controlled conditions, the formation of 4,5-dichloro-2,2,4,5-tetrafluoro-1,3-dioxolane was also observed. A mechanism is proposed to rationalize these results

  氟代二氟甲基三氟甲基过氧化物CF 3 OOCF 2 OF（1）与氟代烯烃的反应导致形成新颖的氟化过氧化物作为主要产物。当在受控条件下将1添加到1,2-二氯-1,2-二氟乙烯CFCl-CFCl中时，4,5-二氯-2,2,4,5-四氟-1,3-二氧戊环的形成为也观察到了。提出了一种机制来使这些结果合理化。