5,5'-bis-(4-chloro-6-methoxy-[1,3,5]triazin-2-ylamino)-2,2'-ethene-1,2-diyl-bis-benzenesulfonic acid | 26110-34-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 5,5'-bis-(4-chloro-6-methoxy-[1,3,5]triazin-2-ylamino)-2,2'-ethene-1,2-diyl-bis-benzenesulfonic acid
• 英文别名: 4,4'-Bis(4-chloro-2-methoxy-1,3,5-triazin-2-ylamino)-2,2'-stilbendisulfonsaeure；5-[(4-Chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[2-[4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid；5-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-[2-[4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
• CAS: 26110-34-9
• 化学式: C₂₂H₁₈Cl₂N₈O₈S₂
• 分子量: 657.472
• InChiKey: PMXWIVKOPPTVEC-UHFFFAOYSA-N

物化性质

• 密度：
  1.723±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  42
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  245
• 氢给体数：
  4
• 氢受体数：
  16

反应信息

• 作为反应物：
  描述：

  5,5'-bis-(4-chloro-6-methoxy-[1,3,5]triazin-2-ylamino)-2,2'-ethene-1,2-diyl-bis-benzenesulfonic acid 、 二乙醇胺 以 水 为溶剂， 生成 4,4'-bis{4''-methoxy-6''-[bis(2-hydroxyethylamino)-1,3,5-triazin-2''-yl]amino}stilbene-2,2'-disulfonic acid
  参考文献：
  名称：

  Spectral characterization of selected stilbentriazine dyes – Structural trans–cis isomerisation

  摘要：

  The paper deals with the spectral investigations of new stilbentriazine dyes containing amino groups or alkoxy group attached to the main molecular triazine ring. Absorption and fluorescence spectra of the dyes in aqueous solutions were recorded. The existence of two spectral structures absorbing at 275 and 350 nm was shown and they are assigned to cis- and trans- structures of dyes, respectively. It was indicated that absorption and fluorescence features of the dyes are not significantly affected by a kind of substituent; exception is ST2 which differs in molecular structure and in the absorption and emission properties from the remaining dyes. The quantum yields of dye fluorescence and the yields of cis-trans energy transfer were also evaluated. The influence of temperature, solution pH and radiation exposure on photoproperties of the dye spectral forms were also examined. The large impact of the radiative exposure time on molecular conformation changes was observed, whereas temperature and environmental pH do not affect the dye spectral parameters. The equilibrium ratios of the trans- to cis- structures were estimated. (c) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2008.01.054
• 作为产物：
  描述：

  2,4-二氯-6-甲氧基-1,3,5-三嗪 、 4,4'-二氨基二苯乙烯-2,2'-二磺酸 以 水 为溶剂， 生成 5,5'-bis-(4-chloro-6-methoxy-[1,3,5]triazin-2-ylamino)-2,2'-ethene-1,2-diyl-bis-benzenesulfonic acid
  参考文献：
  名称：

  Spectral characterization of selected stilbentriazine dyes – Structural trans–cis isomerisation

  摘要：

  The paper deals with the spectral investigations of new stilbentriazine dyes containing amino groups or alkoxy group attached to the main molecular triazine ring. Absorption and fluorescence spectra of the dyes in aqueous solutions were recorded. The existence of two spectral structures absorbing at 275 and 350 nm was shown and they are assigned to cis- and trans- structures of dyes, respectively. It was indicated that absorption and fluorescence features of the dyes are not significantly affected by a kind of substituent; exception is ST2 which differs in molecular structure and in the absorption and emission properties from the remaining dyes. The quantum yields of dye fluorescence and the yields of cis-trans energy transfer were also evaluated. The influence of temperature, solution pH and radiation exposure on photoproperties of the dye spectral forms were also examined. The large impact of the radiative exposure time on molecular conformation changes was observed, whereas temperature and environmental pH do not affect the dye spectral parameters. The equilibrium ratios of the trans- to cis- structures were estimated. (c) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2008.01.054

文献信息

• THERMAL RECORDING MATERIAL CONTAINING STILBENE DISULPHONIC ACID FLUORESCENT WHITENING AGENT
  申请人：Ricoh Industrie France SAS

  公开号：EP2716466B1

  公开（公告）日：2016-09-14
• Spectral characterization of selected stilbentriazine dyes – Structural trans–cis isomerisation
  作者：I. Hanyż、R.M. Ion、A. Nuta、D. Wróbel

  DOI：10.1016/j.molstruc.2008.01.054

  日期：2008.9

  The paper deals with the spectral investigations of new stilbentriazine dyes containing amino groups or alkoxy group attached to the main molecular triazine ring. Absorption and fluorescence spectra of the dyes in aqueous solutions were recorded. The existence of two spectral structures absorbing at 275 and 350 nm was shown and they are assigned to cis- and trans- structures of dyes, respectively. It was indicated that absorption and fluorescence features of the dyes are not significantly affected by a kind of substituent; exception is ST2 which differs in molecular structure and in the absorption and emission properties from the remaining dyes. The quantum yields of dye fluorescence and the yields of cis-trans energy transfer were also evaluated. The influence of temperature, solution pH and radiation exposure on photoproperties of the dye spectral forms were also examined. The large impact of the radiative exposure time on molecular conformation changes was observed, whereas temperature and environmental pH do not affect the dye spectral parameters. The equilibrium ratios of the trans- to cis- structures were estimated. (c) 2008 Elsevier B.V. All rights reserved.