2,7-Dimethylnaphthalin-4-sulfonsaeure | 474513-43-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2,7-Dimethylnaphthalin-4-sulfonsaeure
• 英文别名: 3,6-Dimethyl-1-naphthalenesulfonic acid；3,6-dimethylnaphthalene-1-sulfonic acid
• CAS: 474513-43-4
• 化学式: C₁₂H₁₂O₃S
• 分子量: 236.291
• InChiKey: FSFXJOWRWDPLFE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  62.8
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• ARYLSULFONIC ACID COMPOUND, USE THEREOF, AND METHOD FOR PRODUCING ARYLSULFONIC ACID COMPOUND
  申请人：NISSAN CHEMICAL INDUSTRIES, LTD.

  公开号：US20160248018A1

  公开（公告）日：2016-08-25

  Provided is an arylsulfonic acid compound characterized by being represented by formula (1). [In the formula, Ar 1 represents a group represented by formula (2) (in formula (2), R 1 to R 5 each independently represent a hydrogen atom, halogen atom, cyano group, nitro group, methyl group, or trifluoromethyl group; however, at least one of R 1 to R 5 represents a halogen atom) and Ar 2 represents a group represented by formula (3) or (4).]