4-Amino-5-hydroxy-3-[[5-hydroxy-7-sulfo-6-[[4-[(4-sulfophenyl)diazenyl]-2-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalen-2-yl]diazenyl]-6-[(4-nitro-2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4-Amino-5-hydroxy-3-[[5-hydroxy-7-sulfo-6-[[4-[(4-sulfophenyl)diazenyl]-2-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalen-2-yl]diazenyl]-6-[(4-nitro-2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid
• 英文别名: 4-amino-5-hydroxy-3-[[5-hydroxy-7-sulfo-6-[[4-[(4-sulfophenyl)diazenyl]-2-(trioxidanylsulfanyl)phenyl]diazenyl]naphthalen-2-yl]diazenyl]-6-[(4-nitro-2-sulfophenyl)diazenyl]-7-(trioxidanylsulfanyl)naphthalene-1-sulfonic acid
• 化学式: C38H26N10O22S6
• 分子量: 1167.1
• InChiKey: OIRPXGDEGHKKAD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  76
• 可旋转键数：
  18
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  590
• 氢给体数：
  9
• 氢受体数：
  33

文献信息

• Azo Compound, Ink Composition and Colored Article
  申请人：Matsui Takahiko

  公开号：US20080193660A1

  公开（公告）日：2008-08-14

  [Problems] A compound of a black ink which has such excellent fastnesses of a recorded article as light fastness, ozone gas fastness and moisture fastness, excellent solubility, and storage stability as a recording liquid, when used for inkjet recording and writing tools, and an ink composition comprising the same are provided. [Method for solving the problems] An azo compound represented by the following Formula (1) or a salt thereof, and an ink composition comprising the same (wherein, each of R 1 , R 2 , R 5 , R 6 and R 7 independently represents a hydrogen atom, a carboxyl group, a sulfo group and the like, each of R 3 and R 4 independently represents a hydrogen atom, a sulfo group, a nitro group, a (C1 to C4) alkyl group (which may be substituted by a hydroxyl group or a (C1 to C4) alkoxy group), a (C1 to C4) alkoxy group (which may be substituted by a hydroxyl group, a (C1 to C4) alkoxy group, a sulfo group or a carboxyl group) and the like, and n represents 0 or 1, respectively).
• US7503967B2
  申请人：——

  公开号：US7503967B2

  公开（公告）日：2009-03-17