4-[5,6-dichloro-3-ethyl-2-[3-(3-ethyl-3H-1,3-benzoxazol-3-ium-2-ylidene)prop-1-enyl]benzimidazol-1-ium-1-yl]butane-1-sulfonate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: 4-[5,6-dichloro-3-ethyl-2-[3-(3-ethyl-3H-1,3-benzoxazol-3-ium-2-ylidene)prop-1-enyl]benzimidazol-1-ium-1-yl]butane-1-sulfonate
• 化学式: C25H28Cl2N3O4S+
• 分子量: 537.5
• InChiKey: ZGMJSLOKTMOPIY-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  35
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  88.1
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• CYANOBORATE, FLUOROALKYLPHOSPHATE, FLUOROALKYLBORATE OR IMIDE DYES
  申请人：IGNATYEV Nikolai (Mykola)

  公开号：US20110190480A1

  公开（公告）日：2011-08-04

  The present invention relates to dyes of the general formula CAT + Y − (I), where Y − is an anion selected from the group of the cyanoborates, fluoroalkylphosphates, fluoroalkylborates or imidates and CAT + is a cation selected from the group of the azine, xanthene, polymethine, styryl, azo, tetrazolium, pyrylium, benzopyrylium, thiopyrylium, benzothiopyrylium, thiazine, oxazine, triarylmethane, diarylmethane, methine, acridine, quinoline, isoquinoline or quaternary azafluorenone dyes, for colouring plastics and plastic fibres, for the preparation of flexographic printing inks, as ball-point pen pastes, as stamp ink, for colouring leather and paper, for use in data acquisition systems, reprography, in ink microfilters, in photogalvanics, laser technology and the photo industry.

  本发明涉及一般式CAT+Y−（I）的染料，其中Y−是从氰硼酸盐、氟烷基磷酸盐、氟烷基硼酸盐或咪唑盐群中选择的阴离子，CAT+是从偶氮、黄色素、聚甲烯、苯乙烯、偶氮、四唑、吡啶、苯并吡喃、硫吡喃、苯并硫吡喃、噻吩、噁唑、三芳基甲烷、二芳基甲烷、甲烷、吖啶、喹啉、异喹啉或季铵氮芴酮染料群中选择的阳离子，用于着色塑料和塑料纤维，制备柔性版印刷油墨，作为圆珠笔膏、邮票墨水，用于着色皮革和纸张，用于数据采集系统，复印术，墨水微滤器，光电镀技术，激光技术和光学工业。
• US8702815B2
  申请人：——

  公开号：US8702815B2

  公开（公告）日：2014-04-22