1,2,3,4,5-五氯-6-(二氯甲基)苯 | 2136-95-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1,2,3,4,5-五氯-6-(二氯甲基)苯
• 英文名称: pentachloro-α,α-dichlorotoluene
• 英文别名: αH-Heptachlorotoluene；pentachlorobenzalchloride；pentachloro-dichloromethyl-benzene；Pentachlor-dichlormethyl-benzol；α,α,2,3,4,5,6-Heptachlor-toluol；1-Dichlormethyl-2,3,4,5,6-pentachlor-benzol；1,2,3,4,5-Pentachloro-6-(dichloromethyl)benzene
• CAS: 2136-95-0
• 化学式: C₇HCl₇
• 分子量: 333.256
• InChiKey: AWLHOCSHUCRWFB-UHFFFAOYSA-N

物化性质

• 熔点：
  119.5°C
• 沸点：
  419.37°C (rough estimate)
• 密度：
  1.8855 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 海关编码：
  2903999090

反应信息

• 作为反应物：
  描述：

  1,2,3,4,5-五氯-6-(二氯甲基)苯 在 硫酸 作用下， 生成 2,3,4,5-四氯苯甲酸
  参考文献：
  名称：

  Harvey et al., Journal of Applied Chemistry, 1954, vol. 4, p. 325,328

  摘要：

  DOI：
• 作为产物：
  描述：

  二氯甲基苯 在 碘 作用下， 生成 1,2,3,4,5-五氯-6-(二氯甲基)苯
  参考文献：
  名称：

  Beilstein; Kuhlberg, Justus Liebigs Annalen der Chemie, 1869, vol. 150, p. 294

  摘要：

  DOI：

文献信息

• An Easy, High-yield Synthesis of Highly Chlorinated Mono-, Di- and Triarylmethanes
  作者：Manuel Ballester、Juan Riera、Juan Castañer、Concepción Rovira、Olag Armet

  DOI：10.1055/s-1986-31479

  日期：——

  A simple, direct, high-yield Friedel-Crafts synthesis of highly chlorinated, overcrowded αH-aryl, αH-diaryl, and αH-triarylmethanes is described. The latter compounds are most valuable chemical precursors of inert free radicals, which are frequently obtained through otherwise cumbersome, medium-to-low-yield aromatic chlorination of triphenylmethane derivatives. The condensation is performed with aluminium chloride at temperatures ranging from 70 to 160°C. The substrate is a benzene with all its hydrogens flanked by two ortho chlorines. The alkylating component is chloroform, αH-heptachlorotoluene (2a) or αH-undecachlorodiphenylmethane (3a). For comparison, the condensation with a few non-sterically-hindered substrates has also been performed.

  描述了一种简单、直接、高产率的Friedel-Crafts合成反应，用于合成高度氯化的拥挤型αH-芳基、αH-二芳基和αH-三芳基甲烷。这些化合物是惰性自由基的最有价值的化学前体，通常通过繁琐的中到低产率的芳香氯化三苯甲烷衍生物获得。该缩合反应在70至160°C的温度下使用氯化铝进行。底物是一个苯环，其所有氢原子旁边都有两个邻位氯原子。烷基化组分为氯仿、αH-七氯甲苯（2a）或αH-十氯二苯甲烷（3a）。为了进行比较，也对一些非立体障碍底物进行了缩合反应。
• Tuning the Electro‐Optical Properties of Mixed‐Halide Trityl Radicals Bearing <i>para</i> ‐Brominated Positions through Halogen Substitution
  作者：Davide Mesto、Yasi Dai、Carlo N. Dibenedetto、Angela Punzi、Jozef Krajčovič、Marinella Striccoli、Fabrizia Negri、Davide Blasi

  DOI：10.1002/ejoc.202201030

  日期：2023.1.2

  mixed-halide trityl radicals bearing p-brominated positions were synthesized in good yield from halogenated triphenylmethanes obtained by multistep Friedel-Crafts reactions. Their electrochemical and spectroscopic properties were reported as well as quantum-chemical calculations carried out to supplement the experimental investigation. The most blue-shifted emission among trityl radicals was achieved

  从通过多步 Friedel-Crafts 反应获得的卤化三苯基甲烷，合成了两个新的带有对溴化位置的混合卤化物三苯甲基自由基，产率高。报告了它们的电化学和光谱特性，并进行了量子化学计算以补充实验研究。高度氟化的三苯甲基自由基实现了三苯甲基自由基中最蓝移的发射。
• Catalyst component for the polymerisation of olefins and process for preparing olefin polymers using same
  申请人：NIPPON OIL COMPANY, LIMITED

  公开号：EP0587440A2

  公开（公告）日：1994-03-16

  A catalyst component for use in the polymerization or copolymerization of olefin(s) is obtained by contacting the following components (1) to (4) with one another: (1) a compound of the general formula Me¹R¹p(OR²)qX¹4-p-q where R¹ is a hydrocarbon radical having 1 to 24 carbon atoms, X¹ is a halogen atom, Me¹ is Zr, Ti or Hf, and n is 0 ≦ n ≦ 4; (2) a compound of the general formula Me²R³m(OR⁴)nX²z-m-n where R² is a hydrocarbon radical having 1 to 24 carbon atoms, X² is a halogen atom, Me² is an element from Groups I to III in the Periodic Table, z is the valence of Me² and m is 0 ≦ m ≦ z; (3) an organocyclic compound having two or more conjugated double bonds; and (4) a modified organoaluminum compound containing Al-O-Al bond and with at least one branched-chain alkyl group being attached to aluminum atom.

  将下列组分（1）至（4）相互接触，可得到用于烯烃聚合或共聚的催化剂组分： (1) 通式为 Me¹R¹p(OR²)qX¹4-p-q的化合物 其中，R¹为具有 1 至 24 个碳原子的烃基；X¹为卤素原子；Me¹为 Zr、Ti 或 Hf；n 为 0 ≦ n ≦ 4； (2) 通式为 Me²R³m(OR⁴)nX²z-m-n的化合物，其中 R²为具有 1 至 24 个碳原子的烃基；X²为卤素原子；Me²为元素周期表中第 I 至 III 族的元素；z 为 Me²的化合价；m 为 0 ≦ m ≦ z； (3) 具有兩個或以上共轭双键的有机环化合物；及 (4) 含 Al-O-Al 键且至少有一个支链烷基与铝原子相连的改性有机铝化合物。
• OLEFIN OLIGOMERIZATION CATALYST AND PROCESS FOR THE PREPARATION OF OLEFIN OLIGOMER USING IT
  申请人：NIPPON OIL COMPANY, LTD.

  公开号：EP0758563A1

  公开（公告）日：1997-02-19

  An oligomerization catalyst according to the invention comprises a nickel compound (A); an organophosphoric compound (B); an organoaluminum compound (C); and a compound of the group consisting of carbon-halogen bond-containing compounds, oxoacid and salts thereof, sulfonic acid and derivatives thereof, and compounds of any of the formulae QX4n, QRn, QR'n, QX4lRm, QX4lR'm, QRlR'm, Q1(BR4)p and R''(BR4) wherein Q is an element of the group consisting of Mg, Ti, Zr, B and Sn, Q1 is an element of the group consisting of Li, Na, K, Ca and Zn, X4 is a halogen or hydrogen atom, R is a C1-C12 hydrocarbon group, R' is a C1-C12 oxygen-containing hydrocarbon groiup, R'' is a C1-C20 hydrocarbon group or an ammonium group, n is a valence of Q, l, m is a natural member that satisfied n=l+m, and p is a valence of Q1. This catalyst is useful for the production of alpha-olefinic oligomers.

  根据本发明的低聚催化剂包括镍化合物（A）；有机磷化合物（B）；有机铝化合物（C）；以及由以下物质组成的一组化合物：含碳-卤素键化合物、氧酸及其盐、磺酸及其衍生物，以及式 QX4n、QRn、QR'n、QX4lRm、QX4lR'm、QRlR'm、Q1(BR4)p 和 R''(BR4)中任何一种的化合物 其中 Q 是由镁、钛、锆、硼和锡组成的组中的元素、X4 是卤素或氢原子，R 是 C1-C12 烃基，R'是 C1-C12 含氧烃基，R''是 C1-C20 烃基或铵基，n 是 Q 的化合价，l、m 是满足 n=l+m 的自然数，p 是 Q1 的化合价。这种催化剂可用于生产α-烯烃低聚物。
• RARE-EARTH TERNARY COMPLEX
  申请人：Yanagida, Shozo

  公开号：EP1318143A1

  公开（公告）日：2003-06-11

  A rare earth ternary complex represented by the following formula (1):    wherein M is a rare earth atom; n1 is 2 or 3; n2 is 2, 3, or 4; Rf1 and Rf2 are the same or different and are each a aliphatic group having 1 to 22 carbon atoms and containing no hydrogen atoms, an aromatic group containing no hydrogen atoms, or an aromatic heterocyclic group containing no hydrogen atoms; and Z is a ligand containing X, phosphorus, or nitrogen.

  由下式（1）表示的稀土三元络合物： 其中 M 是稀土原子；n1 是 2 或 3；n2 是 2、3 或 4；Rf1 和 Rf2 相同或不同，并且各自是具有 1 至 22 个碳原子且不含氢原子的脂肪族基团、不含氢原子的芳香族基团或不含氢原子的芳香杂环基团；以及 Z 是含有 X、磷或氮的配体。