1,2,3-三氯-5-碘苯 | 64634-61-3

• 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: 1,2,3-三氯-5-碘苯
• 英文名称: 1,2,3-trichloro-5-iodobenzene
• 英文别名: 3,4,5-trichloroiodobenzene；3,4,5-trichloro-1-iodobenzene；1-Iodo-3,4,5-trichlorobenzol；3,4,5-Trichloriodbenzol
• CAS: 64634-61-3
• 化学式: C₆H₂Cl₃I
• 分子量: 307.345
• InChiKey: RVAULXUQOQCUSC-UHFFFAOYSA-N

物化性质

• 沸点：
  293.0±35.0 °C(Predicted)
• 密度：
  2.085±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  10
• 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：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1,2,3-三氯-5-碘苯 在 铜 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 3,3',4,4',5,5'-六氯联苯
  参考文献：
  名称：

  Physical, spectral and chromatographic properties of all 209 individual PCB congeners

  摘要：

  Physical, spectral and chromatographic data for all 209 individual PCB congeners is presented. The individual congeners were synthesized and then isolated and purified. Recent emphasis on the source of the toxicity of commercial PCB formulations has increased the need for a complete set of the PCB congeners. Through the use of two capillary GC columns: 40% octadecyl/ 15% phenyl methyl siloxane and 50% phenyl methyl siloxane, it was possible to separate 201 PCB congeners with only four unresolved pairs. The data compiled in this study for all 209 congeners will aid in the identification of selected individual components of these environmental pollutants. The use of this data also presents the opportunity for the improved quantification of the commercial PCB formulations.

  DOI：

  10.1016/0045-6535(95)00140-4
• 作为产物：
  描述：

  bis(3,4,5-trichlorophenyl)mercury 在 碘 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以52%的产率得到1,2,3-三氯-5-碘苯
  参考文献：
  名称：

  Deacon, Glen B.; Taylor, Brian S. F., Australian Journal of Chemistry, 1981, vol. 34, # 2, p. 301 - 312

  摘要：

  DOI：

文献信息

• A 19F NMR study of the transmission of electronic effects in triarylantimony and triarylbismuth compounds. A comparison with the nitrogen- and carbon-containing analogues
  作者：S.I. Pombrik、D.N. Kravtsov、B.A. Kvasov、E.I. Fedin

  DOI：10.1016/s0022-328x(00)82117-8

  日期：1977.8

  A dual parameter correlation of the fluorine chemical shifts with the inductive (σI) and resonance (σoR and σR) parameters of the substituents in the aromatic rings has led to similar conclusions. The inductive transmission through the bridging Sb and Bi atoms has been assigned to the absence of conjugation of lone pair and vacant d-orbitals of the metals with π-electron systems of the aromatic rings

  甲19的电子效应的变速器的F NMR研究已经取得了作为Ar的系统2 EC 6 ħ 4 F-4（E =锑，铋，CH，N）。氟化工得到与极性常数相关（Σσ移位Ò和Σσ）的取代基的，这表明电子效应通过SbC发送AR，BiC AR和CC AR键主要由感应机构，而通过NC传输AR由于孤对与芳环以及其中的取代基之间的竞争性共轭，经典的共振效应极大地促进了碳键的结合。与感应氟化学位移的双参数的相关性（σ我）和共振（σ ø - [R和σ - [R ）在芳香环的取代基的参数导致了类似的结论。通过桥接Sb和Bi原子的感应传输已被归因于没有孤对和空位d的共轭。具有芳环的π电子系统的金属的轨道。上的相关方程的ρ系数的值的基础上获得的已经确定的是，BiC的发射能力AR键是接近，在C的人C AR键和比的传递能力显着地降低在NC AR债券。
• Substituted isoxazoline compound and pest control agent
  申请人：Nissan Chemical Industries, Ltd.

  公开号：US08318757B2

  公开（公告）日：2012-11-27

  There is provided a novel pest control agent, particularly an insecticide or miticide. A substituted isoxazoline compound of General Formula (1): where A1, A2 and A3 independently are CH or N, etc., X1, X2 and X3 are independently are H, a halogen atom, etc., Y1 is H, etc., R1 is —C(O)R1a, —C(S)R1a, R1a is —C(R9)(R9a)—S(O)rR10, —C(R9)(R9a)—S(O)t(R10)═NR11, etc., R2 is H, etc., R3 is CF3, CClF2, etc., R4 is H, etc., R9 is H, etc., R9a is H, etc., R10 is C1-2 alkyl, etc., R11 is H, etc., r is an integer of 0-2, t is an integer of 0 or 1; and a pest control agent comprising the compound or the salt thereof.

  提供了一种新型的害虫控制剂，特别是杀虫剂或杀螨剂。一种通式（1）的取代异氧嗪化合物，其中A1、A2和A3独立地是CH或N等，X1、X2和X3独立地是H、卤素原子等，Y1是H等，R1是—C(O)R1a、—C(S)R1a，R1a是—C(R9)(R9a)—S(O)rR10、—C(R9)(R9a)—S(O)t(R10)═NR11等，R2是H等，R3是CF3、CClF2等，R4是H等，R9是H等，R9a是H等，R10是C1-2烷基等，R11是H等，r是0-2的整数，t是0或1的整数；以及包含该化合物或其盐的害虫控制剂。
• SUBSTITUTED ISOXAZOLINE COMPOUND AND PEST CONTROL AGENT
  申请人：Mita Takeshi

  公开号：US20110009438A1

  公开（公告）日：2011-01-13

  There is provided a novel pest control agent, particularly an insecticide or miticide. A substituted isoxazoline compound of General Formula (1): where A 1 , A 2 and A 3 independently are CH or N, etc., X 1 , X 2 and X 3 are independently are H, a halogen atom, etc., Y 1 is H, etc., R 1 is —C(O)R 1a , —C(S)R 1a , R 1a is —C(R 9 )(R 9a )—S(O) r R 10 , —C(R 9 )(R 9a )—S(O) t (R 10 )═NR 11 , etc., R 2 is H, etc., R 3 is CF 3 , CClF 2 , etc., R 4 is H, etc., R 9 is H, etc., R 9a is H, etc., R 10 is C 1-2 alkyl, etc., R 11 is H, etc., r is an integer of 0-2, t is an integer of 0 or 1; and a pest control agent comprising the compound or the salt thereof.

  提供了一种新型的害虫控制剂，特别是杀虫剂或杀螨剂。通式（1）的取代异噁唑烷化合物：其中A1、A2和A3独立地为CH或N等，X1、X2和X3独立地为H、卤素原子等，Y1为H等，R1为—C（O）R1a、—C（S）R1a、R1a为—C（R9）（R9a）—S（O）rR10、—C（R9）（R9a）—S（O）t（R10）═NR11等，R2为H等，R3为CF3、CClF2等，R4为H等，R9为H等，R9a为H等，R10为C1-2烷基等，R11为H等，r为0-2的整数，t为0或1的整数；以及包含该化合物或其盐的害虫控制剂。
• Direct synthesis of haloaromatics from nitroarenes <i>via</i> a sequential one-pot Mo-catalyzed reduction/Sandmeyer reaction
  作者：Raquel Hernández-Ruiz、Sara Gómez-Gil、María R. Pedrosa、Samuel Suárez-Pantiga、Roberto Sanz

  DOI：10.1039/d3ob01187a

  日期：——

  Herein, we report the direct synthesis of a wide variety of functionalized aromatic bromides, chlorides, iodides, and fluorides from nitroarenes in a sequential one-pot operation. This protocol is based on an air- and moisture-tolerant dioxomolybdenum-catalyzed reduction of nitroaromatics, employing pinacol as a reducing agent, which enables subsequent diazotization and halogenation steps. This methodology

  在此，我们报道了在连续的一锅操作中从硝基芳烃直接合成各种官能化芳香族溴化物、氯化物、碘化物和氟化物。该方案基于耐空气和耐湿气的二氧钼催化硝基芳香族化合物的还原，采用频哪醇作为还原剂，从而实现后续的重氮化和卤化步骤。该方法代表了直接从硝基芳族化合物合成卤代芳族化合物的经济、实用和替代程序。
• Base-catalyzed H/D exchange of polychlorinated biphenyls
  作者：Zhihao Xiang、Shiqing Huang、Liang-Liang Zhao、Zengyu Zhang、Ke Chen、Wanqiang Cao、Keyu Zheng、Xiaoyu Yan

  DOI：10.1016/j.tetlet.2022.154200

  日期：2022.11

  pollutants at present. With the rapid development of mass spectrometry-based analysis method, it is necessary to develop synthetic methods for isotopologues of polychlorinated biphenyls. Herein, a novel base-catalyzed H/D exchange reaction of polychlorinated biphenyls with DMSO‑d6/D2O has been disclosed. This protocol provides excellent deuterium incorporation with good ortho-selectivity.

  多氯联苯是目前最普遍、最有害的环境污染物之一。随着基于质谱的分析方法的快速发展，有必要开发多氯联苯同位素体的合成方法。在此，已公开了一种新型的碱催化多氯联苯与 DMSO- d 6 /D 2 O 的 H/D 交换反应。该协议提供了出色的氘掺入和良好的邻位选择性。