malonyldifluoride | 870-75-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: malonyldifluoride
• 英文别名: malonyl fluoride；1,1-Fluorformyl-methan；Propanedioyl difluoride
• CAS: 870-75-7
• 化学式: C₃H₂F₂O₂
• 分子量: 108.044
• InChiKey: OJXZQPBBSBIYKD-UHFFFAOYSA-N

物化性质

• 沸点：
  92-94 °C
• 密度：
  1.298±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  7
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  malonyldifluoride 在 fluorine 、 sodium fluoride 作用下， 以10.5%的产率得到二氟丙二酰氟
  参考文献：
  名称：

  Gas-phase structure and conformations of malonyl difluoride (COF-CH2-COF) and difluoromalonyl difluoride (COF-CF2-COF). An electron diffraction and ab initio study

  摘要：

  The geometric structures and conformational compositions of malonyl difluoride, COF-CH2-COF (1), and difluoromalonyl difluoride, COF-CF2-COF (2), were studied by gas electron diffraction and ab initio calculations (HF/3-21G and HF/6-31G**). The experimental scattering intensities of both compounds are reproduced best by mixtures of two conformers with aplanar skeletons and the C = O bonds eclipsed with respect to vicinal single bonds (C-C, C-H or C-F). The main conformer of 1 possesses C1 symmetry with one COF group rotated by delta-1(CCCO) = 112 (2)-degrees and the other COF group lying in the CCC plane (delta-2(CCCO) = 0-degrees, i.e. C = O cis to C-C). The presence of a small amount (10 (10)%) of a second conformer with C2 symmetry and with both C = O bonds eclipsing the C-H bonds is likely. The relative stabilities of the two conformers of 2 are reversed. The low-energy form possesses C2 symmetry with both COF groups rotated by 120 (2)-degrees, and the high-energy form (30 (15)%) possesses C1 symmetry with one C = O bond eclipsing one vicinal C-F bond and the other C = O bond eclipsing the opposite C-C bond. The ab initio calculations predict the experimentally determined conformations with C1 and C2 symmetry to be stable structures, and their relative stabilities depend on the size of the basis set. The large basis set predicts the correct relative energies for 1 and the small basis set for 2. Experimental bond lengths and bond angles are reproduced very well by the HF/3-21G method.

  DOI：

  10.1021/ja00021a003
• 作为产物：
  描述：

  丙二酸 在 sulfur tetrafluoride 作用下， 反应 16.0h， 生成 malonyldifluoride
  参考文献：
  名称：

  The Chemistry of Sulfur Tetrafluoride. II. The Fluorination of Organic Carbonyl Compounds¹

  摘要：

  DOI：

  10.1021/ja01488a012

文献信息

• 一种铱金属配合物发光材料及其制备与应用
  申请人：奥来德（上海）光电材料科技有限公司

  公开号：CN111825725A

  公开（公告）日：2020-10-27

  本发明公开了一种铱金属配合物发光材料及其制备与应用，属于有机发光材料技术领域。其中，本发明提供的铱金属配合物发光材料的结构通式如式Ⅰ所示，且式Ⅰ所示目标产物是由通式Ⅱ所示化合物与三氯化铱反应得到桥联配体通式Ⅳ所示化合物后，再由通式Ⅳ所示化合物与通式Ⅲ所示化合物反应得到的。本发明提供的铱金属配合物应用于有机电致发光器件中时，能够提高发光器件的发光效率，同时提高发光器件的使用寿命。
• Cleaning gasses and etching gases
  申请人：——

  公开号：US20030001134A1

  公开（公告）日：2003-01-02

  The first chamber cleaning gas and the first silicon-containing film-etching gas of the present invention comprise at least one compound selected from the group consisting of FCOF, CF 3 OCOF and CF 3 OCF 2 OCOF, and O 2 in the specific amount, and optionally other gases. The second chamber cleaning gas and the second silicon-containing film-etching gas comprise CF 3 COF, C 3 F 7 COF or CF 2 (COF) 2 and O 2 in specific amounts, and optionally may comprise other gases. The chamber cleaning gases and silicon-containing film etching gases of the present invention have a low global warming potential and hardly generate substances in the exhaust gases such as CF 4 , etc, which are harmful to the environment and have been perceived as contributing to global warming. Therefore, the gases are friendly to the global environment, and have easy handling and excellent exhaust gas treating properties. Further, the chamber cleaning gases of the invention have excellent cleaning rate.

  本发明的第一室清洗气体和第一硅含膜刻蚀气体包括至少选自FCOF、 COF和CF3OCF2OCOF组合的一种化合物，以及特定量的O2，并可选其他气体。第二室清洗气体和第二硅含膜刻蚀气体包括CF3COF、C3F7COF或CF2（COF）2以及特定量的O2，并且可选其他气体。本发明的清洗气体和硅含膜刻蚀气体具有较低的全球变暖潜力，几乎不会产生对环境有害且被认为是导致全球变暖的气体，如CF4等排放物质。因此，这些气体对全球环境友好，易于处理，具有出色的排放气体处理性能。此外，本发明的清洗气体具有出色的清洗速率。
• Cleaning gases and etching gases
  申请人：Asahi Glass Company, Limited

  公开号：US06787053B2

  公开（公告）日：2004-09-07

  The first chamber cleaning gas and the first silicon-containing film-etching gas of the present invention comprise at least one compound selected from the group consisting of FCOF, CF3OCOF and CF3OCF2OCOF, and O2 in the specific amount, and optionally other gases. The second chamber cleaning gas and the second silicon-containing film-etching gas comprise CF3COF, C3F7COF or CF2(COF)2 and O2 in specific amounts, and optionally may comprise other gases. The chamber cleaning gases and silicon-containing film etching gases of the present invention have a low global warming potential and hardly generate substances in the exhaust gases such as CF4, etc, which are harmful to the environment and have been perceived as contributing to global warming. Therefore, the gases are friendly to the global environment, and have easy handling and excellent exhaust gas treating properties. Further, the chamber cleaning gases of the invention have excellent cleaning rate.

  本发明的第一室清洗气体和第一硅含膜刻蚀气体包括至少选自FCOF、 COF和CF3OCF2OCOF群组中的一种化合物，以及特定量的O2，可选其他气体。第二室清洗气体和第二硅含膜刻蚀气体包括CF3COF、C3F7COF或CF2(COF)2和特定量的O2，可选其他气体。本发明的清洗气体和硅含膜刻蚀气体具有低全球变暖潜力，几乎不会产生对环境有害的排放物质，如CF4等，这些物质被认为是导致全球变暖的因素。因此，这些气体对全球环境友好，易于处理，具有优异的排放气体处理性能。此外，本发明的清洗气体具有出色的清洗速率。