2-Nitro-6-trifluormethyl-benzoesaeure | 24821-18-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-Nitro-6-trifluormethyl-benzoesaeure
• 英文别名: 2-nitro-6-(trifluoromethyl)benzoic Acid
• CAS: 24821-18-9
• 化学式: C₈H₄F₃NO₄
• mdl: MFCD06253764
• 分子量: 235.119
• InChiKey: AVBBEHFQLFYRGH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  83.1
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  3-硝基邻苯二甲酸 生成 2-Nitro-6-trifluormethyl-benzoesaeure
  参考文献：
  名称：

  Yagupol'skii,L.M. et al., Journal of general chemistry of the USSR, 1969, vol. 39, p. 2007 - 2010

  摘要：

  DOI：

文献信息

• METHOD FOR PRODUCING NITRO COMPOUND
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20170129846A1

  公开（公告）日：2017-05-11

  A compound represented by formula (1): (wherein, R 1a represents an alkyl group having 1 to 6 carbon atoms or the like, R 1b and R 1c represent a hydrogen atom or the like, and X represents a chlorine atom, a bromine atom or an iodine atom) can be produced by: a step wherein a compound represented by formula (2): is reacted with a compound represented by formula (3): (wherein, each of R 2 and R 3 independently represents an alkyl group having 1 to 3 carbon atoms or the like, and each of R 6 and R 7 independently represents an alkoxy group having 1 to 3 carbon atoms or the like), thereby obtaining a compound represented by formula (4): a step wherein a compound represented by formula (4) is oxidized; a step wherein the product in the oxidation step is reduced; and a step wherein the product in the reduction reaction is halogenated.
• US9975844B2
  申请人：——

  公开号：US9975844B2

  公开（公告）日：2018-05-22
• Yagupol'skii,L.M. et al., Journal of general chemistry of the USSR, 1969, vol. 39, p. 2007 - 2010
  作者：Yagupol'skii,L.M. et al.

  DOI：——

  日期：——