4-异硫氰酸苯酯 | 10396-05-1

• 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: 4-异硫氰酸苯酯
• 英文名称: 4,4'-Diisothiocyanatodiphenyloxid
• 英文别名: 4,4'-Diisothiocyanatodiphenylether；4-Isothiocyanatophenyl ether；1-isothiocyanato-4-(4-isothiocyanatophenoxy)benzene
• CAS: 10396-05-1
• 化学式: C₁₄H₈N₂OS₂
• 分子量: 284.362
• InChiKey: VFRHGFVMLLSTNS-UHFFFAOYSA-N

物化性质

• 熔点：
  66-68°C
• 沸点：
  441.0±30.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  98.1
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 危险等级：
  IRRITANT-HARMFUL
• 海关编码：
  2930909090
• 包装等级：
  III
• 危险类别：
  6.1
• 危险性防范说明：
  P501,P261,P273,P270,P271,P264,P280,P284,P302+P352,P391,P342+P311,P337+P313,P305+P351+P338,P362+P364,P332+P313,P301+P310+P330,P304+P340+P312,P403+P233,P405
• 危险品运输编号：
  2811
• 危险性描述：
  H301,H315,H319,H334,H335,H410

反应信息

• 作为反应物：
  描述：

  4-异硫氰酸苯酯 在 sodium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 30.0h， 生成 3,3'-(4,4'-Oxydiphenylene)bis(2-ethylthio-4-oxo-2-thioxo-3,4-dihydroquinazoline)
  参考文献：
  名称：

  Merino, Pedro; Orduna, Jesus; Tejero, Tomas, Journal of Heterocyclic Chemistry, 1990, vol. 27, # 5, p. 1345 - 1349

  摘要：

  DOI：
• 作为产物：
  描述：

  methyl N-[4-[4-(methylsulfanylcarbothioylamino)phenoxy]phenyl]carbamodithioate 在 ammonium hydroxide 、 mercury(II) oxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 以83%的产率得到4-异硫氰酸苯酯
  参考文献：
  名称：

  Garin, J.; Melendez, E.; Merchan, F., Bulletin des Societes Chimiques Belges, 1989, vol. 98, # 4, p. 289 - 290

  摘要：

  DOI：

文献信息

• PROCESS FOR PRODUCING PENTAERYTHRITOL MERCAPTOCARBOXYLIC ACID ESTER, POLYMERIZABLE COMPOSITION, RESIN, OPTICAL MATERIAL, AND LENS
  申请人：MITSUI CHEMICALS, INC.

  公开号：US20180186733A1

  公开（公告）日：2018-07-05

  A process for producing a pentaerythritol mercaptocarboxylic acid ester of the present invention includes: a step of reacting pentaerythritol with a mercaptocarboxylic acid, in which an absorbance of a 5 wt % aqueous solution of the pentaerythritol at a wavelength of 270 nm, which is measured using a quartz cell having an optical path length of 50 mm, is 0.07 or less.

  本发明的一种生产对羟基羧基巯基脂肪酸酯的工艺包括：将对羟基羧基巯基脂肪酸与对羟基羧基醇反应的步骤，其中在使用光路长度为50毫米的石英池测量的270纳米波长处，对5重量%的对羟基羧基醇水溶液的吸光度为0.07或更低。
• POLYTHIOL COMPOSITION, POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIALS, AND USE OF POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIALS
  申请人：Mitsui Chemicals, Inc.

  公开号：EP2824126A1

  公开（公告）日：2015-01-14

  A polythiol composition according to the present invention includes a polythiol compound (A) having three or more mercapto groups and a nitrogen-containing compound (B) in which one of a mercapto group of the polythiol compound (A) is replaced with a group represented by the following formula (a) and other one of a mercapto group of the polythiol compound (A) is replaced with a hydroxyl group, in which the peak area of the nitrogen-containing compound (B) is equal to or less than 3.0 with respect to the peak area of 100 of the polythiol compound (A) in a high performance liquid chromatography measurement.

  根据本发明的一种聚硫醇组合物包括具有三个或更多巯基的聚硫醇化合物（A）和一种含氮化合物（B），其中聚硫醇化合物（A）的一个巯基被替换为以下式（a）所表示的基团，另一个巯基被替换为一个羟基，其中在高效液相色谱测量中，含氮化合物（B）的峰面积与聚硫醇化合物（A）的100的峰面积相比等于或小于3.0。
• CHROMENE COMPOUND, CURABLE COMPOSITION COMPRISING THE COMPOUND, AND OPTICAL ARTICLE INCLUDING A CURED BODY OF THE CURABLE COMPOSITION
  申请人：TOKUYAMA CORPORATION

  公开号：US20200190106A1

  公开（公告）日：2020-06-18

  A chromene compound having at least one indenonaphthopyran moiety which has a group forming a spiro ring together with the 13-position carbon atom and further an oligomer chain group selected from a polyalkylene oxide oligomer chain group having at least three recurring units and a polyester oligomer chain group having at least three recurring units, represented by the following formula and having reduced matrix dependence: wherein R 1 and R 2 are each a group which may have an oligomer chain group, the ring Z bonded to the 13-position carbon atom of the chromene compound is a Spiro ring group, and R 3 and R 4 are each an aryl group or heteroaryl group which may have an oligomer chain group. Preferably, the chromene compound has at least one oligomer chain group in the molecule.

  具有至少一个印苯并萘吡喃基团的色酮化合物，其中该基团与13位碳原子形成螺环，并且进一步具有从至少三个重复单元中选择的聚烷氧基寡聚物链基团和聚酯寡聚物链基团中的一个寡聚物链基团，由下式表示并具有降低的矩阵依赖性： 其中R1和R2是各自可能具有寡聚物链基团的基团，与色酮化合物的13位碳原子键合的环Z是螺环基团，而R3和R4是各自可能具有寡聚物链基团的芳基或杂环基团。最好，该色酮化合物在分子中至少具有一个寡聚物链基团。
• [EN] POLYTHIOL COMPOSITION<br/>[FR] COMPOSITION DE POLYTHIOL
  申请人：PPG IND OHIO INC

  公开号：WO2020041183A1

  公开（公告）日：2020-02-27

  The present invention relates to a polythiol composition that includes (a) a polythiol compound (A) having at least two thiol groups; and (b) a nitrogen-containing compound (B) represented by the following Formula (I). In Formula (I), -S-R is a residue of the polythiol compound (A). A peak area of the nitrogen containing compound (B) is equal to or less than 3.0, with respect to a peak area of 100 of the polythiol compound (A). Each peak area for compounds (A) and (B) is determined by high performance liquid chromatography analysis. The present invention also relates to a polymerizable composition that includes the polythiol composition, and polymerizates thereof.

  本发明涉及一种聚硫醇组合物，包括（a）至少具有两个硫醇基团的聚硫醇化合物（A）；以及（b）由以下式子（I）表示的含氮化合物（B）。在式（I）中，-S-R是聚硫醇化合物（A）的残基。与聚硫醇化合物（A）的100的峰面积相比，含氮化合物（B）的峰面积等于或小于3.0。化合物（A）和（B）的每个峰面积是通过高效液相色谱分析确定的。本发明还涉及一种可聚合组合物，包括聚硫醇组合物和其聚合物。
• High impact poly (urethane urea) polysulfides
  申请人：Bojkova V. Nina

  公开号：US20050282991A1

  公开（公告）日：2005-12-22

  The present invention relates to a sulfur-containing polyureaurethane and a method of preparing said polyureaurethane. In an embodiment, the sulfur-containing polyureaurethane adapted to have a refractive index of at least 1.57, an Abbe number of at least 32 and a density of less than 1.3 grams/cm 3 , when at least partially cured.

  本发明涉及一种含硫聚脲脲酯及其制备方法。在一种实施例中，所述含硫聚脲脲酯适于至少部分固化时具有折射率至少为1.57，阿贝数至少为32，密度小于1.3克/立方厘米。