5-Chloro-2-nitrobenzoate

• 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: 5-Chloro-2-nitrobenzoate
• 化学式: C7H3ClNO4-
• 分子量: 200.55
• InChiKey: ZKUYSJHXBFFGPU-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  86
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• Colorant compounds
  申请人：Banning H. Jeffrey

  公开号：US20060020141A1

  公开（公告）日：2006-01-26

  Compounds of the formula wherein M is either (1) a metal ion having a positive charge of +y wherein y is an integer which is at least 2, said metal ion being capable of forming a compound with at least two chromogen moieties, or (2) a metal-containing moiety capable of forming a compound with at least two chromogen moieties, z is an integer representing the number of chromogen moieties associated with the metal and is at least 2, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , a, b, c, d, Y, and z are as defined herein, Q − is a COO − group or a SO 3 — group, A is an organic anion, and CA is either a hydrogen atom or a cation associated with all but one of the Q − groups.

  式中的化合物，其中M是一个带有正电荷+y的金属离子，其中y是至少为2的整数，该金属离子能够与至少两个色团基团形成化合物，或者M是一个含金属基团的基团，能够与至少两个色团基团形成化合物，z是表示与金属相关的色团基团数量的整数，至少为2，R1、R2、R3、R4、R5、R6、R7、a、b、c、d、Y和z的定义如上所述，Q-是一个COO-基团或SO3-基团，A是一个有机阴离子，CA是一个氢原子或与除一个Q-基团之外的所有Q-基团相关联的阳离子。
• Preparation of trifluoromethyl-substituted phenols and phenates and the preparation, from these phenols and phenates, of nitro- and trifluoromethyl-substituted diphenyl ethers
  申请人：ROHM AND HAAS COMPANY

  公开号：EP0019388A1

  公开（公告）日：1980-11-26

  Preparation of trifluoromethyl-substituted phenols and phenates and the preparation, from these phenols and phenates, of nitro- and tri-fluoromethyl-substituted diphenyl ethers. A novel process is provided for the preparation of a substituted phenate (or the corresponding phenol) of the formula: wherein X is halo or trifluoromethyl with the proviso that, when X is halo, X' is trifluoromethyl, X' is hydrogen, halo, trifluoromethyl or (C1-C4) alkyl, and M is the cation of an alkali metal or alkaline earth metal, wherein the process comprises reacting a compound of the formula (wherein X and X' are as above defined) with an alkali metal or alkaline earth metal hydroxide base in a solvent system which is substantially inertto said base and which comprises a polar, aprotic solvent with a dielectric constant in the range of from about 30 to about 70 and a non-nucleophilic hydroxy-containing solvent which increases the solubility of said base in the solvent system whereby a phenate is obtained and, if a phenol is the desired product, reacting the phenate with an acid to form the phenol. The phenates or phenols obtainable by the novel process may be used as intermediates in the preparation of trifluoromethylphenyl nitrophenylether herbicides optionally containing one or two additional ring substituents

  制备三氟甲基取代的苯酚和苯甲酸酯以及用这些苯酚和苯甲酸酯制备硝基和三氟甲基取代的二苯醚。 本发明提供了一种新工艺，用于制备式中的取代苯甲酸酯（或相应的苯酚）： 其中 X 为卤代或三氟甲基，但有以下条件 当 X 为卤素时，X'为三氟甲基、 X'是氢、卤素、三氟甲基或（C1-C4）烷基，以及 M 是碱金属或碱土金属的阳离子、 其中，该工艺包括使以下式子的化合物发生反应 (其中 X 和 X'如上定义）与碱金属或碱土金属氢氧化物碱在溶剂体系中反应，该溶剂体系对所述碱基本上是惰性的，它包括介电常数在约 30 至约 70 范围内的极性烷基溶剂和可增加所述碱在溶剂体系中溶解度的非亲核含羟基溶剂，从而得到苯酸盐，如果苯酚是所需产物，则使苯酸盐与酸反应生成苯酚。 通过新工艺得到的苯酸盐或苯酚可用作中间体，用于制备三氟甲基苯基硝基苯基醚除草剂，该除草剂可选择含有一个或两个额外的环取代基。
• Phase change inks containing colorant compounds
  申请人：Xerox Corporation

  公开号：EP1958993A1

  公开（公告）日：2008-08-20

  A phase change ink composition including a phase change ink carrier; and a colorant compound comprising a basic dye component and a waxy counter ion comprising a waxy moiety.

  一种相变油墨组合物，包括相变油墨载体；以及着色剂化合物，其中包括碱性染料成分和由蜡基组成的蜡状反离子。
• PHASE CHANGE INKS
  申请人：Wu Bo

  公开号：US20060016369A1

  公开（公告）日：2006-01-26

  Phase change ink compositions comprising a phase change ink carrier and a colorant compound of the formula wherein M is either (1) a metal ion having a positive charge of +y wherein y is an integer which is at least 2, said metal ion being capable of forming a compound with at least two chromogen moieties, or (2) a metal-containing moiety capable of forming a compound with at least two chromogen moieties, z is an integer representing the number of chromogen moieties associated with the metal and is at least 2, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , a, b, c, d, Y, and z are as defined herein, Q − is a COO − group or a SO 3 − group, A is an organic anion, and CA is either a hydrogen atom or a cation associated with all but one of the Q − groups.

  相变油墨组合物，包括相变油墨载体和式中的着色剂化合物 其中 M 是 (1) 带有 +y 正电荷的金属离子，其中 y 是至少为 2 的整数，所述金属离子能够与至少两个发色剂分子形成化合物；或 (2) 能够与至少两个发色剂分子形成化合物的含金属分子。 或 (2) 能与至少两个发色基团形成化合物的含金属基团。 z 是一个整数，代表与该金属离子相关的发色基团的数目。 z 是整数，代表与金属相关的发色基数，且至少为 2，R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 a、b、c、d、Y 和 z 如本文所定义，Q - 是 COO - 基团或 SO 3 - 基团，A 是有机阴离子，CA 是氢原子或阳离子，除一个外与所有 Q - 基团的阳离子。
• Processes for preparing phase change inks
  申请人：Wu Bo

  公开号：US20060021546A1

  公开（公告）日：2006-02-02

  Processes for preparing phase change inks comprising admixing (a) a phase change ink carrier; (b) a colorant of the formula or mixtures thereof, wherein M 1 , z, A 1 , R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , a, b, c, d, Y, Q, Q − , A 1 , and CA are as defined herein; and (c) a metal salt of the formula (M 2 v+ ) w (A 2 w− ) v of which the metal portion M 2 is either a metal ion having positive charge +v, a metal-containing moiety, or a mixture thereof, and A 2 is an anion having negative charge −w, wherein M 1 and M 2 can be the same as or different from each other, wherein A 1 and A 2 can be the same as or different from each other, said admixing occurring at a temperature at which the ink carrier is a liquid.

  制备相变油墨的工艺，包括混合 (a) 相变油墨载体；(b) 式中的着色剂或其混合物，其中 M 1、z、A 1、R 1、R 2、R 3、R 4、R 5、R 6、R 7、a、b、c、d、Y、Q、Q-、A 1 和 CA 如本文所定义；(c) 式 (M 2 v+ ) w (A 2 w- ) v 的金属盐，其中金属部分 M 2 是具有正电荷 +v 的金属离子、含金属的分子或其混合物，A 2 是具有负电荷 -w 的阴离子，其中 M 1 和 M 2 可以相同或不同，A 1 和 A 2 可以相同或不同，所述混合在油墨载体为液体的温度下进行。