Isothiocyanic acid, 1,4-cyclohexylene-, dimethylene ester | 29647-03-8

• 分子结构分类: 有机化合物 - 有机硫化合物 - 异硫氰酸盐
• 英文名称: Isothiocyanic acid, 1,4-cyclohexylene-, dimethylene ester
• 英文别名: 1,4-bis(isothiocyanatomethyl)cyclohexane
• CAS: 29647-03-8
• 化学式: C₁₀H₁₄N₂S₂
• 分子量: 226.4
• InChiKey: FNJIORWKLLEFKY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  88.9
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• COMPOSITION FOR OPTICAL MATERIAL
  申请人：MITSUBISHI GAS CHEMICAL COMPANY, INC.

  公开号：EP1319966A1

  公开（公告）日：2003-06-18

  The composition for optical materials of the present invention contains at least one compound represented by the following Formula 1: wherein R1, R2 and R3 are each independently C1-C10 hydrocarbyl or hydrogen; X1, X2 and X3 are each independently S, Se or Te; Y1, Y2 and Y3 are each independently -Sa-[(CH2)bS]cH, a is an integer from 0 to 2, b is an integer from 0 to 4, and c is an integer from 0 to 2, and a compound reactive to the compound of Formula 1. A resin produced by curing a composition containing the compound of Formula 1 by polymerization has a high refractive index, and suitable as various optical materials.

  本发明的光学材料组合物含有至少一种由下式 1 表示的化合物： 其中R1、R2和R3各自独立地为C1-C10烃基或氢；X1、X2和X3各自独立地为S、Se或Te；Y1、Y2和Y3各自独立地为-Sa-[(CH2)bS]cH，a为0至2的整数，b为0至4的整数，c为0至2的整数，以及与式1化合物反应的化合物。通过聚合固化含有式 1 化合物的组合物而产生的树脂具有高折射率，适合用作各种光学材料。
• POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYMERIZABLE COMPOSITION CONTAINING THE CATALYST, POLYTHIOURETHANE RESIN OBTAINED FROM THE COMPOSITION, AND METHOD FOR PRODUCING THE RESIN
  申请人：Mitsui Chemicals, Inc.

  公开号：EP2065414A1

  公开（公告）日：2009-06-03

  By using an amine hydrochloride represented by the formula (1) as a catalyst, a polythiourethane resin which is suitably used for a transparent resin for optical use, can be obtained without using an organotin compound which has been conventionally used as a catalyst for polythiourethane resins and without being affected by the acidity of an additive: wherein R1, R2 and R3 independently represent a monovalent or higher valent linear aliphatic, branched aliphatic, cyclic aliphatic or aromatic organic residue which may have a hydroxyl group or an amino group; and R1, R2 and R3 may be arbitrarily bonded to each other to form a ring.

  使用由式（1）表示的胺盐酸盐作为催化剂，可以获得一种适合用于光学用透明树脂 的聚硫氨酸树脂，而无需使用传统上用作聚硫氨酸树脂催化剂的有机锡化合物，也不会 受到添加剂酸性的影响： 其中 R1、R2 和 R3 独立地代表一价或更高价的线性脂肪族、支链脂肪族、环状脂肪族或芳香族有机残基，可带有羟基或氨基；R1、R2 和 R3 可任意地相互键合以形成环。
• METHOD FOR PRODUCING INTERNAL MOLD RELEASE AGENT FOR OPTICAL MATERIAL, INTERNAL MOLD RELEASE AGENT FOR OPTICAL MATERIAL, AND POLYMERIZABLE COMPOSITION INCLUDING THE SAME
  申请人：Mitsui Chemicals, Inc.

  公开号：EP2497791A1

  公开（公告）日：2012-09-12

  The process for producing an internal mold release agent for an optical material of the present invention includes a step of heating, to a range of 80°C to 140°C, a composition including (a) a phosphoric ester compound, and (b) an alcohol compound containing an aliphatic alcohol having 1 to 10 carbon atoms and/or aromatic alcohol, when the total amount of (a) and (b) is 100% by weight, the alcohol compound (b) is included in an amount equal to or more than 2.5% by weight.

  本发明的光学材料内脱模剂的生产工艺包括以下步骤：将包括(a) 磷酸酯化合物和(b) 含有 1 至 10 个碳原子的脂肪醇和/或芳香醇的醇类化合物的组合物加热至 80°C 至 140°C，当(a)和(b)的总量为 100%（按重量计）时，醇类化合物(b)的含量等于或大于 2.5%（按重量计）。
• Composition for optical material
  申请人：——

  公开号：US20040024165A1

  公开（公告）日：2004-02-05

  The composition for optical materials of the present invention contains at least one compound represented by the following Formula 1: 1 wherein R 1 , R 2 and R 3 are each independently C 1 -C 10 hydrocarbyl or hydrogen; X 1 , X 2 and X 3 are each independently S, Se or Te; Y 1 , Y 2 and Y 3 are each independently —S a —[(CH 2 ) b S] c H, a is an integer from 0 to 2, b is an integer from 0 to 4, and c is an integer from 0 to 2, and a compound reactive to the compound of Formula 1. A resin produced by curing a composition containing the compound of Formula 1 by polymerization has a high refractive index, and suitable as various optical materials.
• POLYMERIZATION CATALYST FOR POLYTHIOURETHANE OPTICAL MATERIAL, POLYMERIZABLE COMPOSITION CONTAINING THE SAME, POLYTHIOURETHANE RESIN OBTAINED FROM THE COMPOSITION, AND PROCESS FOR PRODUCING THE RESIN
  申请人：Kawato Nobuo

  公开号：US20100029890A1

  公开（公告）日：2010-02-04

  By using an amine hydrochloride represented by the formula (1) as a catalyst, a polythiourethane resin which is suitably used for a transparent resin for optical use, can be obtained without using an organotin compound which has been conventionally used as a catalyst for polythiourethane resins and without being affected by the acidity of an additive: wherein R 1 , R 2 and R 3 independently represent a monovalent or higher valent linear aliphatic, branched aliphatic, cyclic aliphatic or aromatic organic residue which may have a hydroxyl group or an amino group; and R 1 , R 2 and R 3 may be arbitrarily bonded to each other to form a ring.

表征谱图