1-(反-4-己基环己基)-4-异硫氰基苯 | 92444-14-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-(反-4-己基环己基)-4-异硫氰基苯
• 英文名称: 4-(trans-4'-n-hexylcyclohexyl)isothiocyanatobenzene
• 英文别名: 1-(trans-4-Hexylcyclohexyl)-4-isothiocyanatobenzene；1-(4-hexylcyclohexyl)-4-isothiocyanatobenzene
• CAS: 92444-14-9
• 化学式: C₁₉H₂₇NS
• 分子量: 301.496
• InChiKey: STLICVZWECVJDT-UHFFFAOYSA-N

物化性质

• 熔点：
  12.6 °C
• 沸点：
  418.5±24.0 °C(Predicted)
• 密度：
  0.977 g/mL at 25 °C (lit.)
• 闪点：
  113 °C
• 稳定性/保质期：
  避免接触强氧化剂

计算性质

• 辛醇/水分配系数(LogP)：
  8.8
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  44.4
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S23,S26,S28,S36
• 危险类别码：
  R20/21/22,R36/37/38
• 海关编码：
  2930909090
• WGK Germany：
  3

反应信息

• 作为产物：
  描述：

  [4-(4-Hexyl-cyclohexyl)-phenyl]-dithiocarbamic acid; compound with triethyl-amine 在 氯甲酸乙酯 、 三乙胺 作用下， 以 氯仿 为溶剂， 反应 1.0h， 以15 g的产率得到1-(反-4-己基环己基)-4-异硫氰基苯
  参考文献：
  名称：

  Dabrowski, R.; Dziaduszek, J.; Szczucinski, T., Molecular Crystals and Liquid Crystals (1969-1991), 1985, vol. 124, p. 241 - 258

  摘要：

  DOI：

文献信息

• POLAR NEMATIC COMPOUNDS
  申请人：Ringstrand Bryan

  公开号：US20110147655A1

  公开（公告）日：2011-06-23

  Polar nematic compounds, one example of which has the following structure: is a caged boron structure, where the sphere of the caged boron structure is C and each non-sphere vertex of the caged boron structure is B—H. R is H, an alkyl, a cycloalkyl, a bicycloalkyl, an alkenyl, a cycloalkenyl, a bicycloalkenyl, an alkynyl, an acyl, an aryl, an alkylaryl, a halogen, a cyano group, or an isothiocyanoto group, or R is a group that forms an ether, a ketone, an ester, a thioester, a sulfide, or a sulfone. X is COOR′ or COSR′. R′ is H, an alkyl, a cycloalkyl, a bicycloalkyl, an alkenyl, a cycloalkenyl, a bicycloalkenyl, an alkynyl, an aryl, a halogen, or a cyano group. The compounds may be used in liquid crystal displays (LCDs), and in television sets, laptop computers, computer monitors, hand-held communication devices, gaming devices, watches, cash registers, clocks, and calculators having liquid crystal displays.

  极性向列相化合物，其中一个例子具有以下结构：是一个围绕硼的结构，其中围绕硼结构的球体是C，围绕硼结构的每个非球体顶点是B-H。R是H，烷基，环烷基，双环烷基，烯烃基，环烯烃基，双环烯烃基，炔基，酰基，芳基，烷基芳基，卤素，氰基，或异硫氰基，或者R是形成醚，酮，酯，硫酯，硫化物或砜的基团。X是COOR′或COSR′。R′是H，烷基，环烷基，双环烷基，烯烃基，环烯烃基，双环烯烃基，炔基，芳基，卤素或氰基。这些化合物可用于液晶显示器（LCD）、电视机、笔记本电脑、计算机显示器、手持通讯设备、游戏设备、手表、收银机、时钟和具有液晶显示器的计算器。
• Polymers with high internal free volume
  申请人：——

  公开号：US20020150697A1

  公开（公告）日：2002-10-17

  Shape-persistent organic materials, including polymers, with large degrees of interior free volume are described, along with behaviors and phenomena enabled by their unique properties. One class of such a material is built up from triptycene base moieties wherein three benzene rings are bridged together about a [2.2.2] tricyclic ring system. These units can be assembled into discreet molecules and polymers. These materials and/or formulations thereof with liquid crystals or polymers are useful for the complexation of chemicals and/or polymers; they have very low dielectric constants for use as coatings in dielectric circuits, they provide additional ordering mechanisms in liquid crystals, and they display unusual mechanical responses when subjected to electrochemical, chemical, or mechanical stimuli.

  本文介绍了具有大量内部自由体积的形状稳定有机材料，包括聚合物，以及由其独特性质所启用的行为和现象。其中一类这样的材料是由三苯基环基团组成的，其中三个苯环通过一个[2.2.2]三环系统桥接在一起。这些单元可以组装成离散的分子和聚合物。这些材料和/或与液晶或聚合物的配方对于化学物质和/或聚合物的络合非常有用；它们具有非常低的介电常数，可用作介电电路的涂层，它们为液晶提供额外的排序机制，并在受到电化学、化学或机械刺激时显示出不寻常的机械响应。
• CHIRAL COMPOUNDS, CHOLESTERIC AND FERROELECTRIC LIQUID CRYSTAL COMPOSITIONS COMPRISING THESE CHIRAL COMPOUNDS, AND LIQUID CRYSTAL DISPLAYS COMPRISING THESE LIQUID CRYSTAL COMPOSITIONS
  申请人：Haase Wolfgang

  公开号：US20110233463A1

  公开（公告）日：2011-09-29

  Chiral liquid crystal compounds of the general formula (1): in which at least one of R 1 and R 2 is a chiral substituent, K may be a single bond or the same as K 1-5 and K 1-5 denote a six-membered ring system which rings may be at least partially unsaturated, wherein the number of atoms in these rings or ring systems between the two atoms forming a part of the link to the next ring, or to one of the substituents R 1 and R 2 , does not differ by more than one if counted in the clockwise, and in the counter-clockwise sense, starting from the same atom in each case, X 1-20 denote alkyl, or alkoxy, or fluorinated alkyl, or fluorinated alkoxy groups, or atom H, or halogen atoms, mixtures comprising such chiral liquid crystal compounds, and liquid crystal displays comprising such mixtures as active ingredients

  手性液晶化合物的一般式（1）： 其中至少一个R1和R2是手性取代基，K可以是单键或与K1-5相同，K1-5表示一个六元环系统，这些环可能至少部分不饱和，在这些环或环系统中，两个形成连接到下一个环或取代基R1和R2之一的原子之间的原子数，在顺时针和逆时针方向上计数时，从同一原子开始，在每种情况下不超过一，X1-20表示烷基、或烷氧基、或氟代烷基、或氟代烷氧基、或原子H、或卤素原子，以及包含这种手性液晶化合物的混合物，以及包含这种混合物作为活性成分的液晶显示器。
• Liquid crystalline cyclohexylbenzene derivatives, their preparation and the liquid crystal compositions containing them
  申请人：Wojskowa Akademia Techniczna im. Jaroslawa Dabrowskiego

  公开号：EP0126883A1

  公开（公告）日：1984-12-05

  4-(trans-4'-n-alkylcyclohexyl)-1-isothiocyanatobenzenes with formula (n integer from 1 to 12) may be prepared starting from the corresponding

  4-(反式-4'-n-烷基环己基)-1-异硫氰基苯的制备方法如下（n 为 1 至 12 的整数）。
• Liquid crystalline isothiocyanates with a dioxane ring and liquid crystalline admixtures containing the same
  申请人：Wojskowa Akademia Techniczna im. Jaroslawa Dabrowskiego

  公开号：EP0170082A2

  公开（公告）日：1986-02-05

  New compounds of the general formula: wherein the symbols X stand for carbon atom bonded with two hydrogen atoms (-CH2- group) and the symbols Z stand for oxygen atom, or the symbols X stand for oxygen atom and the symbols Z stand for carbon atom bonded with two hydrogen atoms (-CH2- group), m is an integer of 1 to 2, R represents an alkyl (H2n+1Cn) or a 4-alkylphenyl (H2n+1Cn-CeH4) or an alkyl biphenyl (H2n+1Cn-C6H4-C6H4) or an alkylcyclohexylphenyl group (H2n+1Cn-C6H10-C6H4), the term alkyl group signifies an alkyl chain containing 1 to 15 carbon atoms or it also signifies a branched-chain alkyl group C2H5-CH(CH3)-(CH2)k, where k is an integer of 1 to 3, have utility as liquid crystals. A process for manufacturing compounds of the general formula I. Liquid crystalline admixtures containing those compounds and a way of selection of their compositions to obtain the admixtures which exhibit smectic, smectic and nematic or only smectic properties as well as their use in electrooptical devices is described.

  通式如下的新化合物 其中符号 X 代表与两个氢原子（-CH2-基团）结合的碳原子，符号 Z 代表氧原子，或符号 X 代表氧原子，符号 Z 代表与两个氢原子（- -基团）结合的碳原子，m 为 1 至 2 的整数、R 代表烷基 (H2n+1Cn) 或 4-烷基苯基 (H2n+1Cn-CeH4) 或烷基联苯 (H2n+1Cn-C6H4- ) 或烷基环己基苯基 (H2n+1Cn-C6H10- )、烷基是指含有 1 至 15 个碳原子的烷基链，或者也指支链烷基 C2H5-CH(CH3)-( )k，其中 k 是 1 至 3 的整数。通式 I 化合物的制造工艺。此外，还介绍了含有这些化合物的液晶混合物及其成分的选择方法，以获得具有共晶、共晶和向列晶特性或仅具有共晶特性的混合物，以及它们在光电设备中的用途。