hexogen-(13)C | 54965-68-3

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: hexogen-(13)C
• CAS: 54965-68-3
• 化学式: C₃H₆N₆O₆
• 分子量: 225.084
• InChiKey: XTFIVUDBNACUBN-VMIGTVKRSA-N

反应信息

• 作为反应物：
  描述：

  hexogen-(13)C 以 neat (no solvent) 为溶剂， 生成 甲烷
  参考文献：
  名称：

  Kozyrev, N. V.; Brylyakov, P. M.; Su, Sen Chel, Doklady Physical Chemistry, 1990, vol. 314, p. 770 - 771

  摘要：

  DOI：
• 作为产物：
  描述：

  在 硝酸铵 、 硝酸 、 乙酸酐 作用下， 以 溶剂黄146 为溶剂， 生成 hexogen-(13)C
  参考文献：
  名称：

  高能材料的热分解。4. 1,3,5-三硝基六氢-s-三嗪（RDX）的冷凝相分解中的氘同位素效应和同位素加扰（H / D，13C / 18O，14N / 15N）

  摘要：

  The inter- vs intramolecular origin of the products formed in the thermal decomposition of 1,3,5-trinitrohexahydro-s-triazine (RDX) has been traced by isotopic crossover experiments using mixtures of differently labeled analogues of RDX. The isotopic analogues of RDX used in the experiments include H-2, C-13, N-15, and O-18. The fraction of isotopic scrambling and the extent of the deuterium kinetic isotope effect (DKIE) are reported for the different thermal decomposition products. Isotopic scrambling is not observed for the N-N bond in N2O and only in small amounts (7%) in the C-H bonds in CH2O, consistent with a mechanism of their formation through methylene nitramine precursors. A product, oxy-s-triazine (OST, C3H3N3O) does not undergo isotopic scrambling in H/D, N-14/N-15, or C-13/O-18 experiments, and its rate of formation exhibits a DKIE of 1.5. These results are consistent with the formation of OST via unimolecular decomposition of RDX. Another product, 1-nitroso-3,5-dinitrohexahydro-s-triazine (ONDNTA, C3H6N6O5) is found to be formed with complete scrambling of the N-NO bond, suggesting an N-N bond cleavage and a radical recombination process in its formation. One of the hydrogen containing products, H2O, exhibits a DKIE of 1.5 +/- 0.1. In contrast, CH2O and ONDNTA have DKIEs of 1.05 +/- 0.1 and 1.05 +/- 0.2, respectively, indicating that hydrogen transfer is not involved in the rate-limiting step of the reaction pathway leading to the formation of these products.

  DOI：

  10.1021/j100201a037