1,1-二氟乙烷 | 24314-99-6

• 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: 1,1-二氟乙烷
• 英文名称: α,α-difluoroethyl radical
• 英文别名: 1,1-difluoro-ethyl；α,α-Difluorethyl-Radikal；α,α-Difluorethyl；α-Difluoraethyl-Radikal；1.1-Difluorethan-1-yl-Radikal；1,1-Difluor-aethyl；1,1-Difluoroethyl
• CAS: 24314-99-6
• 化学式: C₂H₃F₂
• 分子量: 65.0426
• InChiKey: VXNQJPMCJMJOMN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  4
• 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：
  2

反应信息

• 作为反应物：
  描述：

  1,1-二氟乙烷 生成 1,2-二氟乙炔
  参考文献：
  名称：

  WANG, BING-ZE;DENG, CONG-HAO, XUASYUEH SYUEHBAO, 46,(1988) N2, S. 1155-1160

  摘要：

  DOI：
• 作为产物：
  描述：

  1-氯-1,1-二氟乙烷 以 氘代甲醇 为溶剂， 生成 1,1-二氟乙烷
  参考文献：
  名称：

  α，α-二氟乙基的电子自旋共振谱和结构

  摘要：

  固体CH的曝光3 CF 2 Cl和CH的固体溶液3 CF 2在一些有机溶剂中氯至60条钴γ在77K射线给出CH的各向异性ESR谱3 CF 2个基团。使用光谱表明，CH 3基团的内部旋转在77 K时受到很大阻碍，并且观察到CH 3基团中仅氢的一个超细分裂，反映了CH 3基团之间的二面角为0 °。 C-H键和半填充在轨道ç α原子。各向异性光谱与模拟光谱极为吻合，模拟光谱是为金字塔结构制成的，与通过INDO计算优化的模拟光谱非常相似。上所照射的固体CH的退火3 CF 2 Cl为基准的CH的频谱3 CF 2基的不可逆变化约 100 K，表示CH的高温形式的存在3 CF 2基团。对于高温物种ESR谱已经令人满意地解释在假定自由基是约穿过两个F原子的中点和该轴经受释出的锥体CH的两个C原子的3 CF2部首。

  DOI：

  10.1039/f19837900941

文献信息

• Reactions of ground state chlorine atoms with fluorinated methanes and ethanes
  作者：E. Tschuikow‐Roux、T. Yano、J. Niedzielski

  DOI：10.1063/1.448737

  日期：1985.1

  The reactions of photochemically generated Cl(2PJ) atoms with a number of fluorohydrocarbons have been investigated in the temperature range 8–95 °C by the competitive photochlorination technique using CH4 as a primary standard. Relative and absolute rate parameters are reported for CH3F, CH2F2, CH3CH2F, CH2FCH2F, CH3CHF2, CH3CF3, CH2FCHF2, CHF2CHF2, and several auxiliary reactions including CH3Cl, C2H6, and C3H8. The internal competition for hydrogen abstraction in asymmetric fluorethanes is examined in detail. The reactivity trends are discussed and it is found that the activation energies in the fluoromethane series correlate with the known C–H bond dissociation energies. The hydrogen reactivity in the fluoroethane series for which a sufficient data base of DH°(C–H) values is not available is best rationalized in terms of inductive effects and resonance interactions.
• Reaction rates of O(3P) atom with fluoroethanes at 1000–1400 K
  作者：Hiroumi Shiina、Kentaro Tsuchiya、Masaaki Oya、Akira Miyoshi、Hiroyuki Matsui

  DOI：10.1016/s0009-2614(01)00117-8

  日期：2001.3

  The overall rate constants for reactions of O(P-3) with three fluoroethanes, O(P-3)+CH3CH2F->OH + CH2CH2F/CH3CHF (1), O(P-3) + CH2FCH2F -> OH + CHFCH2F (2), and O(P-3) + CH3CHF2 -> OH+ CH2CHF2/ CH3CF2 (3), were measured by laser flash photolysis in shock heated sample gases at 1000-1400 It. The rate constants were obtained in the simple Arrhenius form, k = A exp(-E-a/RT), where A = 2.19 x 10(-9), 1.24 x 10(-9) and 7.43 x 10(-9) cm(3) molecule(-1) s(-1) and E-a = 58.0, 57.0 and 82.7 kJ mol(-1), and uncertainty factors for k at 2 sigma level are F = 1.36, 1.27 and 1.19, respectively, The effect of substitution of the fluorine atom on the overall rate constant is discussed in comparison with the corresponding rates for a series of alkanes and fluoromethanes. (C) 2001 Published by Elsevier Science B.V.
• 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：——
• ENGLAND D. C., J. ORG. CHEM., 1981, 46, NO 1, 147-153
  作者：ENGLAND D. C.

  DOI：——

  日期：——
• Electron spin resonance spectra and structure of the α,α-difluoroethyl radical
  作者：Akinori Hasegawa、Toshio Wakabayashi、Michiro Hayashi、Martyn C. R. Symons

  DOI：10.1039/f19837900941

  日期：——

  gives anisotropic e.s.r. spectra of CH3ĊF2 radicals. Using the spectra it has been shown that the internal rotation of the CH3 group is greatly hindered at 77 K and that the hyperfine splitting of only one of the hydrogens in the CH3 group is observed, reflecting a dihedral angle of 0° between the C—H bond and the half-filled orbital at the Cα atom. The anisotropic spectra are in excellent agreement

  固体CH的曝光3 CF 2 Cl和CH的固体溶液3 CF 2在一些有机溶剂中氯至60条钴γ在77K射线给出CH的各向异性ESR谱3 CF 2个基团。使用光谱表明，CH 3基团的内部旋转在77 K时受到很大阻碍，并且观察到CH 3基团中仅氢的一个超细分裂，反映了CH 3基团之间的二面角为0 °。 C-H键和半填充在轨道ç α原子。各向异性光谱与模拟光谱极为吻合，模拟光谱是为金字塔结构制成的，与通过INDO计算优化的模拟光谱非常相似。上所照射的固体CH的退火3 CF 2 Cl为基准的CH的频谱3 CF 2基的不可逆变化约 100 K，表示CH的高温形式的存在3 CF 2基团。对于高温物种ESR谱已经令人满意地解释在假定自由基是约穿过两个F原子的中点和该轴经受释出的锥体CH的两个C原子的3 CF2部首。