4,4'-Bis[(4-(4-sulfoanilino)-6-bis(2-hydroxyethyl)amino-1,3,5-triazin-2-yl)amino]stilbene-2,2'-disulfonate

• 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: 4,4'-Bis[(4-(4-sulfoanilino)-6-bis(2-hydroxyethyl)amino-1,3,5-triazin-2-yl)amino]stilbene-2,2'-disulfonate
• 英文别名: 5-[[6-[bis(2-hydroxyethyl)amino]-4-(4-sulfoanilino)-1H-1,3,5-triazin-2-ylidene]amino]-2-[2-[4-[[6-[bis(2-hydroxyethyl)amino]-4-(4-sulfoanilino)-1H-1,3,5-triazin-2-ylidene]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
• 化学式: C₄₀H₄₄N₁₂O₁₆S₄
• 分子量: 1077.12
• InChiKey: JTPVHPYPNZIZKG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  72
• 可旋转键数：
  24
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  464
• 氢给体数：
  12
• 氢受体数：
  28

反应信息

• 作为反应物：
  描述：

  4,4'-Bis[(4-(4-sulfoanilino)-6-bis(2-hydroxyethyl)amino-1,3,5-triazin-2-yl)amino]stilbene-2,2'-disulfonate 在 氧气 作用下， 以 phosphate buffer 为溶剂， 生成 5-[4-[Bis-(2-hydroxy-ethyl)-amino]-6-(4-sulfo-phenylamino)-[1,3,5]triazin-2-ylamino]-2-formyl-benzenesulfonic acid 、
  参考文献：
  名称：

  Degradation of Fluorescent Whitening Agents in Sunlit Natural Waters

  摘要：

  Stilbene-type fluorescent whitening agents (FWAs), such as the distyryl biphenyl (DSBP) and the diaminostilbene types (DAS 1 and DAS 2), are commonly used in detergents and papers. They are not readily biodegradable, but due to their ability to absorb part of the terrestial sunlight, they can be photochemically degraded in natural surface waters. Following a fast preceding photoisomerization, the three compounds are degraded by direct photochemical processes yielding mainly aldehydes and alcohols. Their degradation quantum yields are similar, about 10(-4). Nevertheless, in samples of a eutrophic Swiss lake water, DSBP is photochemically degraded three times faster (t(1/2) = 87 min) in summer noon terrestrial sunlight at 25 degrees C than DAS 1 and DAS 2 (t(1/2) = 278 and 313 min) because of a higher rate of sunlight absorption by the DSBP isomer mixture. All FWAs are degraded faster if the oxygen concentration is increased. Dissolved natural organic material partly inhibits the degradation of DSBP in the reaction with molecular oxygen. The behavior of these compounds illustrates the influence of a preceding isomer equilibrium on degradation rate coefficients.

  DOI：

  10.1021/es950711a