azure A chloride | 93211-80-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻嗪类
• 英文名称: azure A chloride
• 英文别名: dimethylthionine；Toluidine blue；thionine；azure A；azure blue cert；Giemsa stain, certified by the Biological Stain Commission；7-imino-N,N-dimethylphenothiazin-3-amine;hydrochloride
• CAS: 93211-80-4
• 化学式: C₁₄H₁₃N₃S*ClH
• 分子量: 291.804
• InChiKey: NALREUIWICQLPS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.98
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  66.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  azure A chloride 在 polyvinyl alcohol 作用下， 生成 天青A
  参考文献：
  名称：

  Photochromic properties of the molecule Azure A chloride in polyvinyl alcohol matrix

  摘要：

  In the present work, isomerization, photophysical properties and heat conductivity of the substance Azure A chloride (AZAC): 3-amino-7-(dimethlamino)phenothiazin-5-ium chloride under the action of UV radiation in the presence of polyvinyl alcohol (PVA) matrix was studied using the Hartree-Fock (HF) and Density Functional Theory (DFT) methods. The electronic absorption spectra of AZAC in dimethylformamide (DMF) solution and in aqueous medium before and after UV radiation were calculated. The nature of absorption bands of AZAC and its tautomeric prototropic form with the transfer of the electron (AZAC(1)) in the visible and near UV spectral regions was interpreted. The solvent effect on the absorption spectrum of the AZAC has established. The comparison of measured FTIR, UV-Visible data allowed assignments of major special features of title molecules. The frontier molecular orbital HOMO-LUMO have been also presented that shows the charge transfer interactions taking place within these molecules. The excitation energies for both molecules AZAC and AZAC(1) have also been calculated. The experimental as well as theoretical investigations of azure molecule have a close agreement and it gives other important clues about the properties of the system. Anisotropy of thermal conductivity in PVA-films containing AZAC and AZAC(1) were also measured. (c) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2015.08.007
• 作为产物：
  描述：

  亚甲兰 生成 azure A chloride
  参考文献：
  名称：

  HANSER, CHRISTOF, JUNGE WISS., 3,(1989) N2, C. 32-39

  摘要：

  DOI：

文献信息

• Novel colorants, colorant stabilizers, ink compositions, and improved methods of making the same
  申请人：——

  公开号：US20010032565A1

  公开（公告）日：2001-10-25

  The present invention relates to a family of new porphine compounds for use as colorants and/or colorant stabilizers. The new porphine compounds may be used alone or may be used in combination with one or more colorants to provide light stability to colorants. The present invention further relates to inks containing the new porphine compounds and a method for making the new compounds. The present invention also relates to improved methods of making porphines. The improved processes allow the production of porphines at lower cost and higher yields compared to conventional methods of making porphines.

  本发明涉及一类新的卟啉化合物家族，用作染料和/或染料稳定剂。新的卟啉化合物可以单独使用，也可以与一个或多个染料结合使用，以提供对染料的光稳定性。本发明还涉及含有新卟啉化合物的油墨和制备新化合物的方法。本发明还涉及改进的卟啉制备方法。改进的工艺使得卟啉的生产成本更低，产量更高，与传统的卟啉制备方法相比。
• Method of making a substrate comprising a colored composition by using an improved mutable composition and so produced substrate
  申请人：Kimberly-Clark Worldwide, Inc.

  公开号：EP1020478A1

  公开（公告）日：2000-07-19

  A method of making a substrate is described. The substrate has thereon or therein a colored composition which includes a mutable, colorant and a molecular includant. The colored composition is incorporated into or out of the substrate. The combination of ultraviolet radiation transorber and molecular includant is denominated a functionalized molecular includant.

  描述了一种制作基底的方法。基底上或基底中含有有色组合物，有色组合物包括可变色的着色剂和分子包含剂。有色组合物与基底结合或脱离基底。紫外线辐射透过剂和分子包含剂的组合称为功能化分子包含剂。
• Photoerasable paint and method for using photoerasable paint
  申请人：KIMBERLY-CLARK WORLDWIDE, INC.

  公开号：EP1123811A2

  公开（公告）日：2001-08-16

  Applications of photoerasable colorant composition include photoerasable price markings for pricing goods, documents such as gaming tickets for securely communicating concealed information, photoerasable paint for temporary markings on terrain and structures such as signs, roadways, trees, and buildings, marking instruments such as pens, and wick or felt markers, ultraviolet light exposure indicators, and dry printing. The photoerasable or mutable colorant composition comprises a mutable colorant and an ultraviolet radiation transorber which, upon irradiation with ultraviolet radiation, interacts with the colorant to irreversibly mutate the colorant and thereby render the colorant substantially colorless. The mutable colorant composition may also include a molecular includant.

  光致可擦除着色剂组合物的应用包括：用于商品定价的光致可擦除价格标记；用于安全传递隐藏信息的文件（如游戏票）；用于在地形和结构（如标志、道路、树木和建筑物）上作临时标记的光致可擦除涂料；标记工具（如笔、灯芯或毛毡标记）；紫外线照射指示器；以及干式印刷。可擦光或可变色着色剂组合物由可变色着色剂和紫外线辐射转化剂组成，紫外线辐射转化剂在紫外线辐射照射下与着色剂发生作用，使着色剂发生不可逆的变异，从而使着色剂基本变为无色。可变异着色剂组合物还可包括一种分子包含剂。
• Method and apparatus for indicating ultraviolet light exposure
  申请人：Kimberly-Clark Worldwide, Inc.

  公开号：EP1123814A2

  公开（公告）日：2001-08-16

  Applications of photoerasable colorant composition include photoerasable price markings for pricing goods, documents such as gaming tickets for securely communicating concealed information, photoerasable paint for temporary markings on terrain and structures such as signs, roadways, trees, and buildings, marking instruments such as pens, and wick or felt markers, ultraviolet light exposure indicators, and dry printing. The photoerasable or mutable colorant composition comprises a mutable colorant and an ultraviolet radiation transorber which, upon irradiation with ultraviolet radiation, interacts with the colorant to irreversibly mutate the colorant and thereby render the colorant substantially colorless. The mutable colorant composition may also include a molecular includant.

  光致可擦除着色剂组合物的应用包括：用于商品定价的光致可擦除价格标记；用于安全传递隐藏信息的文件（如游戏票）；用于在地形和结构（如标志、道路、树木和建筑物）上作临时标记的光致可擦除涂料；标记工具（如笔、灯芯或毛毡标记）；紫外线照射指示器；以及干式印刷。可擦光或可变色着色剂组合物由可变色着色剂和紫外线辐射转化剂组成，紫外线辐射转化剂在紫外线辐射照射下与着色剂发生作用，使着色剂发生不可逆的变异，从而使着色剂基本变为无色。可变异着色剂组合物还可包括一种分子包含剂。
• A method of dehydrating a tertiary alcohol
  申请人：KIMBERLY-CLARK WORLDWIDE, INC.

  公开号：EP1116708A1

  公开（公告）日：2001-07-18

  A method of dehydrating a tertiary alcohol comprising reacting the tertiary alcohol in a non-aqueous non-polar solvent in the presence of an effective amount of a transition metal salt such that the tertiary alcohol is dehydrated.

  一种使叔醇脱水的方法，包括在非水性非极性溶剂中，在有效量的过渡金属盐存在下，使叔醇发生反应，从而使叔醇脱水。

表征谱图