1H-Imidazole-4,5-dicarbonitrile, 2-(trifluoromethyl)-, lithium salt (1:1) | 761441-54-7

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1H-Imidazole-4,5-dicarbonitrile, 2-(trifluoromethyl)-, lithium salt (1:1)
• CAS: 761441-54-7
• 化学式: C6HF3LiN4
• 分子量: 193.1
• InChiKey: XKLXIRVJABJBLQ-UHFFFAOYSA-N

物化性质

• 熔点：
  160 °C(Solv: acetonitrile (75-05-8); benzene (71-43-2))
• 密度：
  2.2 at 25.1℃
• LogP：
  -1.1 at 21.9℃ and pH5-6.3

计算性质

• 辛醇/水分配系数(LogP)：
  0.79
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  76.3
• 氢给体数：
  1
• 氢受体数：
  6

安全信息

• 包装等级：
  III
• 危险类别：
  6.1
• 危险性防范说明：
  P501,P270,P264,P280,P302+P352,P337+P313,P305+P351+P338,P362+P364,P332+P313,P301+P310+P330,P405
• 危险品运输编号：
  2811
• 危险性描述：
  H301,H315,H319

文献信息

• ELECTROLYTE FOR HIGH VOLTAGE LITHIUM-ION BATTERIES
  申请人：UChicago Argonne, LLC

  公开号：US20190233388A1

  公开（公告）日：2019-08-01

  An electrolyte, electrochemical device, battery, capacitor, and/or the like include a salt; and a fluorinated organosulfate compound represented by Formula I: wherein, R 1 is H, OR 3 , alkyl, alkenyl, alkynyl, aralkyl, or silyl; R 2 is H, OR 3 , alkyl, alkenyl, alkynyl, aralkyl, or silyl; and R 3 is H, alkyl, alkenyl, alkynyl, aryl, heterocyclyl, heteroaryl, or siloxy; or where R 1 and R 2 join together to form a cyclic compound incorporating the —O—S(O) 2 —O— group; wherein at least one R 1 and R 2 is fluorinated.

  电解质、电化学器件、电池、电容器等包括一种盐；以及由式I表示的氟化有机磺酸酯化合物：其中，R1为H、OR3、烷基、烯烃基、炔基、芳基烷基或硅基；R2为H、OR3、烷基、烯烃基、炔基、芳基烷基或硅基；R3为H、烷基、烯烃基、炔基、芳基、杂环烷基、杂芳基或硅氧基；或者R1和R2结合形成包含—O—S(O)2—O—基团的环状化合物；其中至少有一个R1和R2是氟化的。
• FIVE-MEMBERED CYCLIC ANION USE THEREOF AS AN ELECTROLYTE
  申请人：CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE

  公开号：US20150315155A1

  公开（公告）日：2015-11-05

  A pentacyclic anion salt is provided for use thereof in electrolyte compositions. The compound has an inorganic, organic or organometallic cation M of valency m (1≦m≦3) and m anions corresponding to the formula (I) in which R f is a —CFZ′Z″ group in which Z′ is F or a perflouroalkyl group having from 1 to 3 carbon atoms, and Z″ is an H, F or Cl group, an optionally fluorinated or perfluorinated alkoxy group having from 1 to 5 carbon atoms, an optionally fluorinated or perfluorinated oxaalkoxy group having 1 to 5 carbon atoms or an optionally fluorinated or perfluorinated alkyl group having from 1 to 5 carbon atoms; Z″ being other than F when Z′ is F. An electrolyte composition comprises said salt in solution in a liquid solvent or a polymer solvent.

  提供一种五环阴离子盐，用于在电解质组合物中使用。该化合物具有一个无机、有机或有机金属阳离子M，其价数为m（1≦m≦3），以及与公式（I）对应的m个阴离子，其中Rf是一个—CFZ′Z″基团，其中Z′是F或具有1至3个碳原子的全氟烷基基团，Z″是一个H、F或Cl基团，一个可选择氟化或全氟烷氧基团，具有1至5个碳原子，一个可选择氟化或全氟氧烷氧基团，具有1至5个碳原子，或一个可选择氟化或全氟烷基基团，具有1至5个碳原子；当Z′为F时，Z″不是F。电解质组合物包括所述盐溶解在液体溶剂或聚合物溶剂中。
• PENTACYCLIC ANION SALT AND USE THEREOF AS AN ELECTROLYTE
  申请人：Armand Michel

  公开号：US20110311884A1

  公开（公告）日：2011-12-22

  The invention relates to a pentacyclic anion salt and to the use thereof in electrolyte compositions. The compound comprises an inorganic, organic or organometallic cation M of valency m (1≦m≦3) and m anions corresponding to the formula (I) in which R f is a —CFZ′Z″ group in which Z′ is F or a perfluoroalkyl group having from 1 to 3 carbon atoms, and Z″ is an H, F or Cl group, an optionally fluorinated or perfluorinated alkoxy group having from 1 to 5 carbon atoms, an optionally fluorinated or perfluorinated oxaalkoxy group having from 1 to 5 carbon atoms or an optionally fluorinated or perfluorinated alkyl group having from 1 to 5 carbon atoms; Z″ being other than F when Z′ is F. An electrolyte composition comprises said salt in solution in a liquid solvent or a polymer solvent.

  该发明涉及一种五环阴离子盐及其在电解质组合物中的应用。该化合物包括一个价数为m（1≦m≦3）的无机、有机或有机金属阳离子M，以及与化学式（I）相对应的m个阴离子，其中Rf是一个—CFZ′Z″基团，其中Z′为F或具有1至3个碳原子的全氟烷基基团，Z″为H、F或Cl基团，或者是具有1至5个碳原子的可选氟化或全氟化烷氧基团，具有1至5个碳原子的可选氟化或全氟化氧烷氧基团，或者是具有1至5个碳原子的可选氟化或全氟化烷基基团；当Z′为F时，Z″不是F。电解质组合物包括所述盐溶解在液体溶剂或聚合物溶剂中。
• ELECTROLYTE ADDITIVE AND ELECTROLYTE, COMPRISING SAME, FOR LITHIUM SECONDARY BATTERY
  申请人：LG Chem, Ltd.

  公开号：EP3512027A1

  公开（公告）日：2019-07-17

  An electrolyte additive composition of the present invention may improve high-rate charge and discharge characteristics and high-temperature storage and life characteristics of a lithium secondary battery and may achieve an effect of increasing reversible capacity when the electrolyte additive composition is used in an electrolyte while including a novel borate-based lithium compound as well as a lithiated additive.

  本发明的一种电解质添加剂组合物可改善锂二次电池的高倍率充放电特性和高温储存及寿命特性，当该电解质添加剂组合物用于同时包括新型硼酸基锂化合物和锂化物添加剂的电解质中时，可达到增加可逆容量的效果。
• ELECTROLYTE ADDITIVE COMPOSITION, AS WELL AS ELECTROLYTE AND LITHIUM SECONDARY BATTERY COMPRISING THE SAME
  申请人：LG CHEM, LTD.

  公开号：EP3836277A1

  公开（公告）日：2021-06-16

  An electrolyte additive composition of the present invention may improve high-rate charge and discharge characteristics and high-temperature storage and life characteristics of a lithium secondary battery and may achieve an effect of increasing reversible capacity when the electrolyte additive composition is used in an electrolyte while including a novel borate-based lithium compound as well as a lithiated additive.

  本发明的一种电解质添加剂组合物可改善锂二次电池的高倍率充放电特性和高温储存及寿命特性，当该电解质添加剂组合物用于同时包括新型硼酸基锂化合物和锂化物添加剂的电解质中时，可达到增加可逆容量的效果。