1,1,1-Tricyan-propan | 5247-13-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1,1,1-Tricyan-propan
• 英文别名: Propane-1,1,1-tricarbonitrile
• CAS: 5247-13-2
• 化学式: C₆H₅N₃
• 分子量: 119.126
• InChiKey: VPWDUWQZOPKPQH-UHFFFAOYSA-N

物化性质

• 沸点：
  234.7±20.0 °C(Predicted)
• 密度：
  1.105±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  71.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,1,1-Tricyan-propan 在 氢氧化钾 、 乙醇 作用下， 生成 丙三羧酸
  参考文献：
  名称：

  Simpson, vol. 12, p. 237

  摘要：

  DOI：
• 作为产物：
  描述：

  2-乙基丙二腈 、 氯化氰 生成 1,1,1-Tricyan-propan
  参考文献：
  名称：

  Alkyl- and Aryltricyanomethanes. Synthesis and Properties

  摘要：

  DOI：

  10.1021/jo01341a067

文献信息

• ELECTROLYTIC SOLUTION, ELECTROCHEMICAL DEVICE, LITHIUM ION SECONDARY BATTERY, AND MODULE
  申请人：DAIKIN INDUSTRIES, LTD.

  公开号：US20200280096A1

  公开（公告）日：2020-09-03

  An electrolyte solution containing a compound represented by the following formula (1): wherein R 101 and R 102 are the same as or different from each other and are each a hydrogen atom, a fluorine atom, or an alkyl group optionally containing a fluorine atom; and R 103 is an alkyl group or an organic group containing an unsaturated carbon-carbon bond. Also disclosed is an electrochemical device and lithium ion secondary battery including the electrolyte solution, and a module including the electrochemical device or lithium ion secondary battery.

  一种电解质溶液，包含由以下化学式（1）表示的化合物：其中R101和R102彼此相同或不同，分别为氢原子、氟原子或含有氟原子的烷基基团；R103为烷基基团或含有不饱和碳-碳键的有机基团。还公开了包括该电解质溶液的电化学器件和锂离子二次电池，以及包括电化学器件或锂离子二次电池的模块。
• ELECTROLYTE FOR LITHIUM ION SECONDARY BATTERY, LITHIUM ION SECONDARY BATTERY, AND MODULE
  申请人：DAIKIN INDUSTRIES, LTD.

  公开号：US20200203769A1

  公开（公告）日：2020-06-25

  An electrolyte solution for a lithium ion secondary battery, containing a compound (1) represented by the following formula (1): wherein R 1 and R 2 are each independently a C1-C4 alkyl group optionally containing an ether bond, and wherein chloride ion is present at a concentration of 1.0×10 −6 to 1.0×10 3 ppm. Also disclosed is an electrolyte solution for a lithium ion secondary battery, containing an imidazolium cation (1-1) represented by the following formula (1-1), a bis(oxalato)borate anion, and a hexafluorophosphate anion, the formula (1-1) being: wherein R 1 and R 2 are each independently a C1-C4 alkyl group optionally containing an ether bond, and wherein chloride ion is present at a concentration of 1.0×10 −6 to 1.0×10 3 ppm.

  一种用于锂离子二次电池的电解质溶液，包含一种由以下化学式（1）表示的化合物（1）：其中R1和R2分别独立地是含有醚键的C1-C4烷基基团，并且氯化物离子的浓度为1.0×10-6至1.0×103ppm。还公开了一种用于锂离子二次电池的电解质溶液，包含由以下化学式（1-1）表示的咪唑阳离子（1-1），一种双（草酸盐）硼酸根离子和一种六氟磷酸根离子，其中化学式（1-1）为：其中R1和R2分别独立地是含有醚键的C1-C4烷基基团，并且氯化物离子的浓度为1.0×10-6至1.0×103ppm。
• ELECTROLYTE, ELECTROCHEMICAL DEVICE, LITHIUM ION SECONDARY BATTERY, AND MODULE
  申请人：DAIKIN INDUSTRIES, LTD.

  公开号：US20210246098A1

  公开（公告）日：2021-08-12

  An electrolyte solution containing a compound represented by the following formula (1). In the formula, Rf 101 is CF 3 —, CF 2 H—, or CFH 2 —, and R 101 is an optionally fluorinated C2-C5 alkenyl group or an optionally fluorinated C2-C8 alkynyl group and optionally contains Si in a structure:

  含有以下公式（1）所代表的化合物的电解质溶液。在该公式中，Rf101是CF3—、CF2H—或CFH2—，而R101是一个可选择氟化的C2-C5烯基或一个可选择氟化的C2-C8炔基，并且在结构中可含有Si。
• ELECTROLYTIC SOLUTION, ELECTROCHEMICAL DEVICE, LITHIUM-ION SECONDARY CELL, AND MODULE
  申请人：Daikin Industries, Ltd.

  公开号：EP3694041A1

  公开（公告）日：2020-08-12

  The invention provides an electrolyte solution capable of improving the high-temperature storage characteristics and cycle characteristics of an electrochemical device. The electrolyte solution contains at least one selected from the group consisting of a compound represented by the following formula (1-1) (wherein Rf111s are the same as or different from each other and are each a C2-C4 fluorinated alkenyl group), a compound represented by the following formula (1-2) (wherein R121 is a C1-C4 alkyl group; and Rf121 is a C2-C4 fluorinated alkenyl group), and a compound represented by the following formula (1-3) (wherein Rf131 is a C1-C3 fluorinated alkyl group; and R131 is a C6-C12 aryl group).

  本发明提供了一种能够改善电化学装置的高温存储特性和循环特性的电解质溶液。该电解质溶液含有至少一种选自由下式（1-1）代表的化合物（其中 Rf111s 彼此相同或不同，且各自为 C2-C4 氟化烯基）、下式（1-2）代表的化合物（其中 R121 为 C1-C4 烷基；和 Rf121 是 C2-C4 氟化烯基），以及下式（1-3）代表的化合物（其中 Rf131 是 C1-C3 氟化烷基；和 R131 是 C6-C12 芳基）。
• ELECTROLYTE SOLUTION, ELECTROCHEMICAL DEVICE, LITHIUM ION SECONDARY BATTERY, MODULE AND COMPOUND
  申请人：DAIKIN INDUSTRIES, LTD.

  公开号：EP3761435A1

  公开（公告）日：2021-01-06

  The disclosure provides an electrolyte solution that gives an electrochemical device having low resistance. The electrolyte solution contains a compound represented by the following formula (1). In the formula, R101 and R102 are each individually a substituent such as a C1-C7 alkyl group, the substituent optionally contains at least one divalent to hexavalent hetero atom in a structure or optionally has a structure obtained by replacing at least one hydrogen atom by a fluorine atom or a C0-C7 functional group, and at least one selected from the group consisting of R101 and R102, when both being an alkyl group, contains at least one divalent to hexavalent hetero atom in the structure or has a structure obtained by replacing at least one hydrogen atom by a fluorine atom or a C0-C7 functional group.

  本公开提供了一种电解质溶液，它能使电化学装置具有低电阻。该电解质溶液含有下式（1）所代表的化合物。式中，R101 和 R102 分别是取代基，如 C1-C7 烷基，取代基在结构中任选含有至少一个二价至六价杂原子，或任选具有通过用氟原子或 C0-C7 官能团取代至少一个氢原子而得到的结构、且至少有一个选自 R101 和 R102（当两者均为烷基时）组成的组，在结构上含有至少一个二价至六价杂原子，或具有通过用氟原子或 C0-C7 官能团取代至少一个氢原子而获得的结构。