反式，反式-3,4,5-三氟苯基4'-丙基双环己基-4-羧酸酯 | 132123-45-6

• 物质功能分类: 有机原料 - 有机氟化合物 - 氟苯酚系列
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 中文名称: 反式，反式-3,4,5-三氟苯基4'-丙基双环己基-4-羧酸酯
• 英文名称: (trans,trans)-3,4,5-Trifluorophenyl 4'-propyl-[1,1'-bi(cyclohexane)]-4-carboxylate
• 英文别名: (3,4,5-trifluorophenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
• CAS: 132123-45-6
• 化学式: C₂₂H₂₉F₃O₂
• 分子量: 382.5
• InChiKey: SDAWLPKKYZMFEM-UHFFFAOYSA-N

物化性质

• 沸点：
  438.9±45.0 °C(Predicted)
• 密度：
  1.136±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302

文献信息

• CYCLOHEPTANE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF
  申请人：SHI JIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO., LTD.

  公开号：US20150252261A1

  公开（公告）日：2015-09-10

  A cycloheptane derivative as represented by formula (I), and preparation method and use thereof; the compound has photostability and thermostability, wide nematic phase and liquid crystalline state temperature range, and good low-temperature intersolubility, and particularly has low rotary viscosity γ 1 and good dielectric anisotropy (Δ∈>0).

  一种由式（I）表示的环庚烷衍生物，其制备方法和用途；该化合物具有光稳定性和热稳定性，宽的向列相和液晶状态温度范围，良好的低温相容性，特别是具有低旋转粘度γ1和良好的介电各向异性（Δ∈>0）。
• Liquid crystalline compound, liquid crystal composition containing the same and liquid crystal display device
  申请人：Chisso Corporation

  公开号：EP0733610A1

  公开（公告）日：1996-09-25

  The present invention describes a hexynediene derivative expressed by the following general formula I and liquid crystal compositions containing the derivative : wherein R1 and R2 independently represent an alkyl group or alkoxy group each having 1 to 10 carbon atoms, ring A and ring B independently represent 1,4-cyclohexylene or 1,4-phenylene. A liquid crystal display device containing said composition is also described.

  本发明描述了一种由以下通式 I 表示的己二烯衍生物和含有该衍生物的液晶组合物： 其中，R1 和 R2 分别代表各自具有 1 至 10 个碳原子的烷基或烷氧基，环 A 和环 B 分别代表 1,4-环己烯或 1,4-亚苯基。 还描述了一种含有上述组合物的液晶显示装置。
• Liquid crystalline compound, liquid crystal composition containing the same, and display device
  申请人：Chisso Corporation

  公开号：EP0733692A1

  公开（公告）日：1996-09-25

  Liquid crystalline compounds are disclosed which are expressed by the following general formula (1) wherein R1 represents a branched alkyl group having 3 to 10 carbon atoms, ring A represents 1,4-phenylene group or 1,4-cyclohexylene group, Z1 and Z2 independently represent a single bond or 1,2-ethylene group, respectively, X1, X2, X3, and X4 independently represent fluorine atom or hydrogen atom, respectively, and Y1 represents oxygen atom or a single bond. The compounds are excellent in compatibility with other liquid crystalline compounds, and have a large positive value of dielectric anisotropy, extremely low viscosity, extremely high specific resistance (high voltage holdidng ratio), and excellent UV stability. A liquid crystal display element is also disclosed.

  本发明公开了由以下通式（1）表示的液晶化合物 其中 R1 代表具有 3 至 10 个碳原子的支链烷基，环 A 代表 1，4-亚苯基或 1，4-环己烯基，Z1 和 Z2 分别独立地代表单键或 1，2-乙烯基，X1、X2、X3 和 X4 分别独立地代表氟原子或氢原子，Y1 代表氧原子或单键。这些化合物与其他液晶化合物的兼容性极佳，具有较大的介电各向异性正值、极低的粘度、极高的比电阻（高电压保持比）和极好的紫外线稳定性。此外，还公开了一种液晶显示元件。
• NOVEL LIQUID-CRYSTAL COMPOUNDS BEARING DIENYL MOIETY AND LIQUID-CRYSTAL COMPOSITION
  申请人：CHISSO CORPORATION

  公开号：EP0805134A1

  公开（公告）日：1997-11-05

  The present invention is to provide a liquid crystalline compound which has a large ratio of elastic constants and low viscosity, is excellent in miscibility, and is even chemically stable, and to provide a liquid crystal composition containing the liquid crystalline compound. The present invention is concerned with a liquid crystalline compound expressed by general formula (1) wherein R1 represents cyano group, halogen atom, or a straight or branched alkyl group or halogenated alkyl group having 1 to 20 carbon atoms, one or not-adjacent two CH2 groups in the alkyl group or halogenated alkyl group may be replaced by oxygen atom or -CH=CH- group; R2 and R2' represent hydrogen atom, halogen atom, or an alkyl group having 1 to 9 carbon atoms; X1, X2, and X3 independently represent -CH2CH2-, -CO-O-, -O-CO-, -CH=CH-, -C≡C-, -(CH2)4-, -CF2O-, -OCF2-, -CH2O-, -OCH2-, or a covalent bond; rings A, B, C, and D independently represent 1,4-phenylene ring, trans-1,4-cyclohexylene ring, bicyclo[1,1,0]butane ring, bicyclo[1,1,1]pentane ring, bicyclo[3,2,2]octane ring, cyclobutane ring, or spiro[3,3]heptane ring, respectively, hydrogen atom in these rings may be replaced by halogen atom and carbon atom in these rings may be replaced by nitrogen atom or oxygen atom; ℓ, m, and o are independently 0 or 1, n is an integer of 0 to 3, and p is an integer of 1 to 5. Liquid crystal composition having excellent physical properties, that is, steep threshold characteristics and high response speed can be obtained by providing a novel liquid crystalline compound having a large ratio of elastic constants and low viscosity, or by including the liquid crystalline compound in a liquid crystal composition.

  本发明旨在提供一种弹性常数比大、粘度低、混溶性好、甚至化学性质稳定的液晶化合物，并提供一种含有该液晶化合物的液晶组合物。 本发明涉及一种由通式（1）表示的液晶化合物 其中 R1 代表氰基、卤素原子或具有 1 至 20 个碳原子的直链或支链烷基或卤代烷基，烷基或卤代烷基中的一个或不相邻的两个 CH2 基团可由氧原子或 -CH=CH- 基团取代；R2 和 R2'代表氢原子、卤素原子或具有 1 至 9 个碳原子的烷基； X1、X2 和 X3 独立地代表-CH2CH2-、-CO-O-、-O-CO-、-CH=CH-、-C≡C-、-(CH2)4-、-CF2O-、-OCF2-、-CH2O-、-OCH2- 或共价键；环 A、B、C 和 D 分别独立地代表 1,4-苯环、反式-1,4-环己烯环、双环[1,1,0]丁烷环、双环[1,1,1]戊烷环、双环[3,2,2]辛烷环、环丁烷环或螺[3,3]庚烷环，这些环中的氢原子可被卤素原子取代，这些环中的碳原子可被氮原子或氧原子取代；ℓ、m 和 o 独立地为 0 或 1，n 为 0 至 3 的整数，p 为 1 至 5 的整数。 通过提供具有大弹性常数比和低粘度的新型液晶化合物，或在液晶组合物中加入该液晶化合物，可获得具有优异物理性质（即陡峭阈值特性和高响应速度）的液晶组合物。
• Polyhaloalkyl ether derivatives as well as liquid crystal compositions and liquid crystal display elements containing them
  申请人：CHISSO CORPORATION

  公开号：EP0844229A1

  公开（公告）日：1998-05-27

  There are provided a novel compound having a quite high voltage holding ratio, low threshold voltage, quite low temperature-dependency, large Δ ε and superior compatibility with various liquid crystal materials even at a low temperature, as well as a liquid crystal composition and a liquid crystal display element obtained by using 3-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl = 4-(trans-4-propylcyclohexyl)benzoate is used for a liquid crystal composition and in a liquid crystal display element.

  本发明提供了一种新型化合物，该化合物具有相当高的电压保持率、低阈值电压、相当低的温度依赖性、大 Δ ε 以及即使在低温下也能与各种液晶材料良好兼容，还提供了一种液晶组合物和液晶显示元件，该液晶组合物和液晶显示元件使用了 3-氟-4-(1,1,2,2-四氟乙氧基)苯基 = 4-(反式-4-丙基环己基)苯甲酸酯。