1-溴-2,4,5-三氯苯 | 29682-44-8

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 芳香烃
• 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-溴-2,4,5-三氯苯
• 中文别名: 2,4,5-三氯溴苯
• 英文名称: 1-bromo-2,4,5-trichlorobenzene
• 英文别名: 2,4,5-trichlorobromobenzene；1-bromo-2,4,5-trichloro-benzene；1-Brom-2,4,5-trichlor-benzol；1-Brom-2,4,5-trichlorbenzol
• CAS: 29682-44-8
• 化学式: C₆H₂BrCl₃
• 分子量: 260.345
• InChiKey: PHDKZIIWDGIUCG-UHFFFAOYSA-N

物化性质

• 熔点：
  140-142oC
• 沸点：
  269℃
• 密度：
  1.840
• 闪点：
  129℃
• 溶解度：
  可溶于氯仿（少量）、乙酸乙酯（少量）

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

安全信息

• 海关编码：
  2903999090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1-Bromo-2,4,5-trichlorobenzene
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: 1-Bromo-2,4,5-trichlorobenzene
CAS number: 29682-44-8

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C6H2BrCl3
Molecular weight: 260.3

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, hydrogen chloride, hydrogen bromide.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1-溴-2,4,5-三氯苯 在 硫酸 、 硝酸 作用下， 以 水 为溶剂， 反应 1.0h， 以67.8%的产率得到2-bromo-3-nitro-1,4,5-trichlorobenzene
  参考文献：
  名称：

  新型吡咯硝酮类似物的设计，合成和杀真菌活性

  摘要：

  通过简便的方法设计和合成了一系列含有噻吩部分的吡咯硝酮新类似物，并通过1 H核磁共振（NMR）和高分辨率质谱对它们的结构进行了表征。分离了异构体IV-h和Vh，并通过2D NMR鉴定了其结构，包括异核多量子相干（HMQC），异核多键相关（HMBC）和核Overhauser效应光谱（NOESY）光谱。评估了它们对5种真菌的杀真菌活性，结果表明，某些标题化合物在体外对solternaria solani表现出优异的杀真菌活性，玉蜀黍赤霉，轮纹轮纹病菌，镰孢属omysporum，和尾孢花生在50微克毫升的剂量-1。一些化合物在低剂量下显示中等活性。化合物Vh可被认为是进一步设计农业杀菌剂的主要结构。

  DOI：

  10.1021/jf902320e
• 作为产物：
  描述：

  3,4-二氯溴苯 在 potassium cyanide 、 硫酸 、 硝酸 、 铁粉 、 sodium carbonate 、 氯化铵 、 copper(l) chloride 、 sodium nitrite 作用下， 以 乙醇 、 水 、 溶剂黄146 为溶剂， 反应 39.5h， 生成 1-溴-2,4,5-三氯苯
  参考文献：
  名称：

  Potential noncataleptic neuroleptic agents: 2,3-Dichloro-10-[4-(2-hydroxyethyl)piperazino]-10,11-dihydrobenzo[b,f]thiepin

  摘要：

  通过对3,4-二氯溴苯进行硝化反应得到的6-硝基衍生物V，经胺VI和腈VII转化为2-溴-4,5-二氯苯甲酸(IX)。在3-甲基-1-丁醇中，在碳酸钾和铜及碘化亚铜的催化下，与硫代苯酚发生反应，得到4,5-二氯-2-(苯硫基)苯甲酸(Xa)，进而还原为醇XIa。经过未表征的中间体XIIa和XIIIa，转化为同系物酸XIVa。在150°C下，经过多磷酸环化，得到2,3-二氯二苯并[bf]噻吩-10(11H)-酮(XV)，再还原为醇XVI。经氢氯酸处理得到不稳定的氯衍生物XVII，其与1-(2-羟乙基)哌嗪发生取代反应，形成标题化合物II。其二甲磺酸盐呈现出略有毒性和非痉挛镇静药的特性。由于在大剂量下不影响大鼠脑中多巴胺代谢，因此不能被视为一种神经阻滞剂。

  DOI：

  10.1135/cccc19840992

文献信息

• [EN] MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO<br/>[FR] MOLÉCULES PRÉSENTANT UNE UTILITÉ EN TANT QUE PESTICIDES, AINSI QU'INTERMÉDIAIRES, COMPOSITIONS, ET PROCÉDÉS ASSOCIÉS
  申请人：DOW AGROSCIENCES LLC

  公开号：WO2016168059A1

  公开（公告）日：2016-10-20

  This disclosure relates to the field of moiecuies having pesticida i utility against pests in Phyla Arthropoda, Moliusca, and hJematoda, processes to produce such moiecuies, intermediates used In such processes, pesticidai compositions containing such molecules, and processes of using such pesticidai compositions against such pests. These pesticidai compositions may be used, for example, as acaricldes, insecticides, miticides, moilusclcides, and nematicides. This document discloses moiecuies having the following formula ("Formula One").

  这份披露涉及在节肢动物门、软体动物门和线虫门的害虫中具有杀虫剂作用的分子领域，用于生产此类分子的过程，用于这些过程的中间体，含有这些分子的杀虫剂组合物，以及使用这些杀虫剂组合物对付这些害虫的过程。这些杀虫剂组合物可以用作螨虫剂、杀虫剂、螨类杀虫剂、软体动物杀虫剂和线虫杀虫剂。本文件披露了具有以下化学式（"化学式一"）的分子。
• Synthesis, structural characterization, reactivity and catalytic activity of mixed halo/triflate ArI(OTf)(X) species
  作者：Lachlan Sharp-Bucknall、Marcus Sceney、Keith F. White、Jason L. Dutton

  DOI：10.1039/d3dt00275f

  日期：——

  λ3-iodoarenes and λ3-iodoarenes possessing –OTf ligands are coveted for their enhanced reactivities. Here we describe the synthesis, reactivity, and comprehensive characterisation of two new ArI(OTf)(X) species, a class of compound that were previously only invoked as reactive intermediates where X = Cl, F and their divergent reactivity with aryl substrates. A new catalytic system for electrophilic chlorination

  混合的 λ 3 -碘代芳烃和具有 –OTf 配体的λ 3 -碘代芳烃都因其增强的反应性而备受追捧。在这里，我们描述了两种新的 ArI(OTf)(X) 物种的合成、反应性和综合表征，这是一类化合物，以前仅被用作反应性中间体，其中 X = Cl、F 及其与芳基底物的不同反应性。还描述了一种使用 Cl 2作为氯源和 ArI/HOTf 作为催化剂的用于失活芳烃亲电氯化的新催化系统。
• Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto
  申请人：Dow AgroSciences LLC

  公开号：US10219516B2

  公开（公告）日：2019-03-05

  This disclosure relates to the field of molecules having pesticidal utility against pests in Phyla Arthropoda, Mollusca, and Nematoda, processes to produce such molecules, intermediates used in such processes, pesticidal compositions containing such molecules, and processes of using such pesticidal compositions against such pests. These pesticidal compositions may be used, for example, as acaricides, insecticides, miticides, molluscicides, and nematicides. This document discloses molecules having the following formula (“Formula One”).

  本公开涉及对节肢动物门、软体动物门和线虫动物门害虫具有杀虫作用的分子、生产此类分子的工艺、用于此类工艺的中间体、含有此类分子的杀虫组合物以及使用此类杀虫组合物对付此类害虫的工艺。这些杀虫组合物可用作杀螨剂、杀虫剂、杀螨剂、杀软体动物剂和杀线虫剂等。本文公开了具有下式（"式一"）的分子。
• Hodgson, Journal of the Society of Dyers and Colourists, vol. 42, p. 367
  作者：Hodgson

  DOI：——

  日期：——
• Synthesis of dioxin-like monofluorinated PCBs: for the use as internal standards for PCB analysis
  作者：Richard Sott、Christine Hawner、Jon E. Johansen

  DOI：10.1016/j.tet.2008.01.003

  日期：2008.4

  Monofluorinated polychlorinated biphenyls (fluoro-PCBs) have been prepared using the Suzuki-coupling, for use as analytical standards for PCB measurements. Seven of these fluoro-PCBs are analogues of the dioxin-like PCBs, listed by the WHO as the most toxic PCB congeners. Four highly chlorinated fluoro-PCBs have been prepared by Suzuki-coupling of 2,3,5,6-tetrachloro-bromoaniline with various substituted arylboronic acids. The resulting amino-fluoro-PCBs are chlorinated using the Sandmeyer reaction or deaminated to yield tetra-, penta- and hexa-chlorinated fluoro-PCBs. The fluoro-PCBs elute just before the corresponding PCBs in the GC chromatogram, which strongly indicates their potential as analytical standards. (C) 2008 Elsevier Ltd. All rights reserved.