1,3,5-三嗪烷 | 110-90-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪烷类
• 中文名称: 1,3,5-三嗪烷
• 中文别名: 三甲基环烯胺
• 英文名称: 1,3,5-s-triazine
• 英文别名: 1,3,5-hexahydrotriazine；hexahydrotriazine；hexahydro-1,3,5-triazine；1,3,5-Triazinane
• CAS: 110-90-7
• 化学式: C₃H₉N₃
• 分子量: 87.1246
• InChiKey: LKLLNYWECKEQIB-UHFFFAOYSA-N

物化性质

• 沸点：
  82.0±8.0 °C(Predicted)
• 密度：
  0.921±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1
• 重原子数：
  6
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  36.1
• 氢给体数：
  3
• 氢受体数：
  3

安全信息

• 海关编码：
  2933699090

反应信息

• 作为反应物：
  描述：

  1,3,5-三嗪烷 在 盐酸 、 sodium nitrite 作用下， 以 水 为溶剂， 以95%的产率得到1,3,5-三亚硝基-1,3,5-六氢化三嗪
  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
• 作为产物：
  描述：

  三聚氰胺 在 氢气 、 镍 作用下， 以 乙醇 为溶剂， 65.0~80.0 ℃ 、1.2 MPa 条件下， 以86.3%的产率得到1,3,5-三嗪烷
  参考文献：
  名称：

  一种具有抗热氧氧化性能的六氢三嗪类化合物及其制备方法和应用

  摘要：

  本发明是一种具有抗热氧氧化性能的六氢三嗪类化合物及其制备方法和应用，由通式(I)所示，通过将聚合型受阻酚和亚磷酸酯基团同时引入到六氢三嗪中，组成了新型的受阻胺抗氧剂，主辅抗氧剂官能团的引入，增加了抗氧剂间的协同作用，聚合型受阻酚的引入，提高了热氧稳定剂的分子质量，达到了提高稳定性和耐抽提性的效果，减缓了在氧气氛围中树脂老化。

  公开号：

  CN110724165B

文献信息

• LITHIUM-ION BATTERY AND APPARATUS
  申请人：Contemporary Amperex Technology Co., Limited

  公开号：US20210135286A1

  公开（公告）日：2021-05-06

  This application provides a lithium-ion battery and an apparatus. The lithium-ion battery includes an electrode assembly and an electrolyte. The electrode assembly includes a positive electrode plate, a negative electrode plate, and a separator. A positive active material of the positive electrode plate includes Li x1 Co y1 M 1-y1 O 2-z1 Q z1 , where 0.5≤x1≤1.2, 0.8≤y1≤1.0, 0≤z1≤0.1, M is selected from one or more of Al, Ti, Zr, Y, and Mg, and Q is selected from one or more of F, Cl, and S. The electrolyte contains an additive A that is a polynitrile six-membered nitrogen-heterocyclic compound with a relatively low oxidation potential. The lithium-ion battery has superb cycle performance and storage performance, especially under high-temperature and high-voltage conditions.

  该应用提供了一种锂离子电池和装置。锂离子电池包括电极组件和电解质。电极组件包括正极板、负极板和隔膜。正极板的正极活性材料包括Lix1Coy1M1-y1O2-z1Qz1，其中0.5≤x1≤1.2，0.8≤y1≤1.0，0≤z1≤0.1，M从Al、Ti、Zr、Y和Mg中选择，Q从F、Cl和S中选择。电解质含有一种添加剂A，该添加剂是一种具有相对较低氧化电位的多腈六元氮杂环化合物。该锂离子电池在高温和高电压条件下具有出色的循环性能和储存性能。
• ELECTROLYTE AND ELECTROCHEMICAL DEVICE
  申请人：CONTEMPORARY AMPEREX TECHNOLOGY CO., LIMITED

  公开号：US20210280910A1

  公开（公告）日：2021-09-09

  The present disclosure relates to the field of energy storage materials, and particularly, to an electrolyte and an electrochemical device. The electrolyte includes an additive A and an additive B, the additive A is selected from a group consisting of multi-cyano six-membered N-heterocyclic compounds represented by Formula I-1, Formula I-2 and Formula I-3, and combinations thereof, and the additive B is at least one unsaturated bond-containing cyclic carbonate compound. The electrochemical device includes the above electrolyte. The electrolyte of the present disclosure can effectively passivate surface activity of the positive electrode material, inhibit oxidation of the electrolyte, and effectively reduce gas production of the battery, while an anode SEI film can be formed to avoid a contact between the anode and the electrode and thus to effectively reduce side reactions.

  本公开涉及能源存储材料领域，特别是涉及一种电解质和一种电化学装置。该电解质包括添加剂A和添加剂B，其中添加剂A选自由式I-1、式I-2和式I-3所代表的多氰基六元杂环化合物组成的一组，以及它们的组合物，添加剂B是至少一种含有不饱和键的环状碳酸酯化合物。所述电化学装置包括上述电解质。本公开的电解质可以有效地钝化正极材料的表面活性，抑制电解质的氧化，并有效地减少电池的气体产生，同时可以形成阳极SEI膜，以避免阳极与电极之间的接触，从而有效地减少副反应。
• Lithium-ion battery and apparatus
  申请人：Contemporary Amperex Technology Co., Limited

  公开号：US10938068B2

  公开（公告）日：2021-03-02

  This application provides a lithium-ion battery and an apparatus. The lithium-ion battery includes an electrode assembly and an electrolyte. The electrode assembly includes a positive electrode plate, a negative electrode plate, and a separator. A positive active material of the positive electrode plate includes Lix1Coy1M1-y1O2-z1Qz1, where 0.5≤x1≤1.2, 0.8≤y1<1.0, 0≤z1≤0.1, M is selected from one or more of Al, Ti, Zr, Y, and Mg, and Q is selected from one or more of F, Cl, and S. The electrolyte contains an additive A, an additive B, and an additive C. The additive A is a polynitrile six-membered nitrogen-heterocyclic compound with a relatively low oxidation potential. The additive B is an anhydride compound. The additive C is a halogen substituted cyclic carbonate compound.

  该应用程序提供了一种锂离子电池和一个装置。该锂离子电池包括电极组件和电解质。电极组件包括正极板、负极板和隔膜。正极板的正极活性材料包括Lix1Coy1M1-y1O2-z1Qz1，其中0.5≤x1≤1.2，0.8≤y1<1.0，0≤z1≤0.1，M从Al、Ti、Zr、Y和Mg中选择一个或多个，Q从F、Cl和S中选择一个或多个。电解质包含添加剂A、添加剂B和添加剂C。添加剂A是一种具有相对较低氧化电位的聚腈六元杂环化合物。添加剂B是一种酐化合物。添加剂C是一种卤代环碳酸酯化合物。
• The first controlled reduction of the high explosive RDXElectronic supplementary information (ESI) available: full experimental details on the synthesis and analysis of the reported compounds. See http://www.rsc.org/suppdata/cc/b2/b207885f/
  作者：Callum J. McHugh、W. Ewen Smith、Richard Lacey、Duncan Graham

  DOI：10.1039/b207885f

  日期：2002.10.18

  The first reduction chemistry of the high explosive RDX that allows subsequent functionalization into a SERRS active species.

  高爆炸性RDX的首个还原化学，从而使其后续功能化成为SERRS活性物种。
• 一种CT胃肠道造影剂及其应用
  申请人：牡丹江医学院

  公开号：CN106928087B

  公开（公告）日：2019-01-22

  本发明涉及非离子型X‑射线造影剂领域，具体涉及一种非离子型多聚体碘造影剂及含有该化合物的造影剂组合物。本发明化合物与现有技术中的非离子型二聚体造影剂相比具有更加优越的理化性质，其具有与人体血液接近的渗透压以及低的粘度，适合于在各种场合应用，特别是在CT胃肠道造影中使用。