Trinitroethylnitrate | 66849-71-6

• 分子结构分类: 有机化合物 - 有机氧化合物 - 有机含氧阴离子化合物
• 英文名称: Trinitroethylnitrate
• 英文别名: 2,2,2-trinitroethyl nitrate
• CAS: 66849-71-6
• 化学式: C₂H₂N₄O₉
• 分子量: 226.059
• InChiKey: SAYOUBWRCZNZGR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  15
• 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：
  193
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  2-氟-2,2-二硝基乙基氯甲基醚 、 Trinitroethylnitrate 在 三氯化铁 作用下， 以 硝基甲烷 为溶剂， 反应 0.17h， 以6.4 g的产率得到2-fluoro-2,2-dinitroethyl 2',2',2'-trinitroethyl formal
  参考文献：
  名称：

  Synthesis and thermochemical properties of some fluorine-containing formals

  摘要：

  Fluorination of bis(2-fluoro-2,2-dinitroethyl) and bis(2,2,2-trinitroethyl) thionocarbonates by elemental fluorine gave bis(2-fluoro-2,2-dinitroethyl) and bis(2,2,2-trinitroethyl) difluoroformals. The reaction of 2,2,2-trinitroethyl nitrate with 2-fluoro-2,2-dinitroethyl chloromethyl ether gave 2-fluoro-2,2-dinitroethyl 2',2',2'-trinitroethyl formal. The standard heats of combustion and formation of the synthesized formals were determined by combustion in a calorimetric bomb. Increments of substitution of the trinitromethyl group by the fluorodinitromethyl group and of the H atom by F in the methylene group for formals were calculated and recommended for rough calculations. It was shown that it is possible to evaluate DELTA-H(f)0 of the formals by the method of increments and group contributions.

  DOI：

  10.1007/bf00961035
• 作为产物：
  描述：

  2,2,2-三硝基乙醇 在 potassium fluoride 、 硝酰氟 作用下， 以 乙腈 为溶剂， 以94.2%的产率得到Trinitroethylnitrate
  参考文献：
  名称：

  硝基氟硝化醇

  摘要：

  已经开发了一种在 KF 存在下通过在 MeCN 中用硝酰氟 (FNO2) 处理醇来制备硝酸盐的通用方法。

  DOI：

  10.1007/bf02496138

文献信息

• Nitration of alcohols by nitryl fluoride
  作者：B. S. Fedorov、L. T. Eremenko

  DOI：10.1007/bf02496138

  日期：1997.5

  A general method for the preparation of nitrates by treatment of alcohols with nitryl fluoride (FNO2) in MeCN in the presence of KF has been developed.

  已经开发了一种在 KF 存在下通过在 MeCN 中用硝酰氟 (FNO2) 处理醇来制备硝酸盐的通用方法。
• Synthesis and thermochemical properties of some fluorine-containing formals
  作者：V. V. Avdonin、E. P. Kirpichev、Yu. I. Rubtsov、M. A. Fadeev、G. V. Oreshko、L. T. Eremenko

  DOI：10.1007/bf00961035

  日期：1991.11

  Fluorination of bis(2-fluoro-2,2-dinitroethyl) and bis(2,2,2-trinitroethyl) thionocarbonates by elemental fluorine gave bis(2-fluoro-2,2-dinitroethyl) and bis(2,2,2-trinitroethyl) difluoroformals. The reaction of 2,2,2-trinitroethyl nitrate with 2-fluoro-2,2-dinitroethyl chloromethyl ether gave 2-fluoro-2,2-dinitroethyl 2',2',2'-trinitroethyl formal. The standard heats of combustion and formation of the synthesized formals were determined by combustion in a calorimetric bomb. Increments of substitution of the trinitromethyl group by the fluorodinitromethyl group and of the H atom by F in the methylene group for formals were calculated and recommended for rough calculations. It was shown that it is possible to evaluate DELTA-H(f)0 of the formals by the method of increments and group contributions.