1-chloromethyl-2-methyl-3,4,5,6-tetrachlorobenzene | 5360-86-1

• 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: 1-chloromethyl-2-methyl-3,4,5,6-tetrachlorobenzene
• 英文别名: pentachloro-o-xylene；1-Methyl-2-chlormethyl-3.4.5.6-tetrachlor-benzol；1-Methyl-2-chloromethyl-3,4,5,6-tetrachlorobenzene；1,2,3,4-tetrachloro-5-(chloromethyl)-6-methylbenzene
• CAS: 5360-86-1
• 化学式: C₈H₅Cl₅
• 分子量: 278.393
• InChiKey: QICXTGCEPZAKNJ-UHFFFAOYSA-N

物化性质

• 熔点：
  99.5-100 °C(Solv: ethanol (64-17-5); trichloroethylene (79-01-6))
• 沸点：
  338.9±37.0 °C(Predicted)
• 密度：
  1.536±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1-chloromethyl-2-methyl-3,4,5,6-tetrachlorobenzene 在 氢氧化钾 作用下， 生成 1-Methyl-2-hydroxymethyl-3,4,5,6-tetrachlor-benzol
  参考文献：
  名称：

  Polyfunctional Acids and Alcohols from Tetrachloro-o-xylene, Tetrachloro-p-xylene, and Trichloromesitylene

  摘要：

  DOI：

  10.1021/jo01082a008
• 作为产物：
  描述：

  四氯邻二甲苯 在 氯 作用下， 生成 1-chloromethyl-2-methyl-3,4,5,6-tetrachlorobenzene
  参考文献：
  名称：

  Polyfunctional Acids and Alcohols from Tetrachloro-o-xylene, Tetrachloro-p-xylene, and Trichloromesitylene

  摘要：

  DOI：

  10.1021/jo01082a008

文献信息

• METHOD FOR THE PREPARATION OF TRICHLOROMETHYL-GROUP-SUBSTITUTED BENZENE
  申请人：SHANGHAI FANGLUN NEW MATERIAL TECHNOLOGY CO., LTD.

  公开号：US20160152533A1

  公开（公告）日：2016-06-02

  The present application relates to a method for photochlorination, and specifically to photochlorination by a photochemical reaction of an aromatic compound with gaseous chlorine so as to prepare a trichloromethyl-substituted benzene, and to a method using bis-(trichloromethyl)-benzene as the trichloromethyl-substituted benzene to prepare by further reaction bis-(chloroformyl)-benzene. Through the control of temperature, illuminance and consumption of gaseous chlorine, the method of this application can greatly improve the purity of trichloromethyl-substituted benzene and further prepare polymer-grade bis-(chloroformyl)-benzene with low cost. The present application also relates to a method for purifying trichloromethyl-substituted benzene, and specifically to a method for purifying trichloromethyl-substituted benzene via molecular distillation. The present application further relates to a photochlorination reactor for use in photochlorination reactions (such as those of the present application).

  本申请涉及一种光氯化方法，具体涉及通过芳香化合物与氯气的光化学反应来制备三氯甲基取代苯，并且使用双-(三氯甲基)-苯作为三氯甲基取代苯，通过进一步反应制备双-(氯甲酰基)-苯的方法。通过控制温度、光照强度和氯气消耗量，本申请的方法可以大大提高三氯甲基取代苯的纯度，并进一步以低成本制备聚合级双-(氯甲酰基)-苯。本申请还涉及一种纯化三氯甲基取代苯的方法，具体涉及通过分子蒸馏纯化三氯甲基取代苯的方法。本申请还涉及用于光氯化反应的光氯化反应器（例如本申请的反应）。
• Method of preparing methylchloromethyltetrachlorobenzenes and
  申请人：Dynamit Nobel Aktiengesellschaft

  公开号：US04000052A1

  公开（公告）日：1976-12-28

  A process for preparing a chloromethyl-tetrachlorobenzene which comprises the steps of: A. contacting a xylene in a chlorine resistant solvent with 0.5 to 2, preferably 1 to 2 weight percent of FeCl.sub.3, based upon the weight of said xylene, at a temperature of 20 to 70.degree. C in the absence of light in a vessel having a vapor space over the level of the xylene solution. B. introducing into said vapor space chlorine and passing the same over said solution while strongly agitating the solution, said chlorine being introduced such that an excess pressure of 0.01 to 1 atmosphere exists over said solution; C. maintaining said solution at said temperature of 20 to 70.degree. C for a period of time at least 0.5 hours, preferably between 3 and 6 hours; D. thereafter directing energy-rich light at said vapor space while adding chlorine into said vapor space and maintaining the excess pressure over said solution at 0.01 to 1 atmosphere while maintaining the solution at a temperature of 50.degree. to 80.degree. C for a period of time of at least 0.5 hours, preferably between 4 and 7 hours and while continuing said agitation; and E. separating and recovering a chloromethyltetrachlorobenzene.

  制备氯甲基四氯苯的过程包括以下步骤：A. 在耐氯溶剂中，将0.5-2重量％的FeCl.sub.3与二甲苯接触，以二甲苯的重量为基础，在无光的条件下，在具有液面上方的蒸汽空间的容器中，在20-70℃的温度下进行。B. 将氯气引入该蒸汽空间，并在强烈搅拌液体的同时通过该溶液，引入氯气，使得在溶液上存在0.01-1大气压的过压。C. 在20-70℃的温度下，将该溶液保持至少0.5小时的时间，最好在3-6小时之间。D. 随后，在向该蒸汽空间中添加氯气并保持过压为0.01-1大气压的同时，将高能光直接照射到该蒸汽空间，并将溶液保持在50℃至80℃的温度下，至少保持0.5小时的时间，最好在4-7小时之间，并继续搅拌； E. 分离和回收氯甲基四氯苯。
• Novel trifluoromethyl benzal chlorides and process for the preparation thereof
  申请人：OCCIDENTAL CHEMICAL CORPORATION

  公开号：EP0077853A1

  公开（公告）日：1983-05-04

  Novel meta- and para-trifluoromethyl benzal chlorides and ring-halogenated derivatives are useful chemical intermediates for the preparation of meta- and para-trifluoromethyl benzaldehydes and various other useful end products. The novel compounds can be prepared from readily-available xylene starting materials in a process comprising (a) chlorinating meta- or para-xylene, or a ring-halogenated meta- or para-xylene, to form a trichloromethyl benzal chioride product and (B) reacting the trichloromethyl benzal chloride product with about 3 moles or less of anhydrous hydrogen fluoride in the presence of a halogen exchange catalyst.

  新型的偏三氟和对三氟甲基苯甲醛氯化物和环卤化衍生物是制备偏三氟和对三氟甲基苯甲醛及其他各种有用最终产品的有用化学中间体。这些新型化合物可以用现成的二甲苯起始原料通过以下工艺制备：(a) 氯化间二甲苯或对二甲苯，或环卤化间二甲苯或对二甲苯，形成三氯甲基苯甲酰氯产物；(B) 在卤素交换催化剂存在下，使三氯甲基苯甲酰氯产物与约 3 摩尔或更少的无水氟化氢反应。
• JPH08127553A
  申请人：——

  公开号：JPH08127553A

  公开（公告）日：1996-05-21
• JPS63303947A
  申请人：——

  公开号：JPS63303947A

  公开（公告）日：1988-12-12