1-氯-3-(4-硝基苯基)苯 | 952-22-7

• 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-氯-3-(4-硝基苯基)苯
• 英文名称: 3‐chloro‐4′‐nitrobiphenyl
• 英文别名: 3-chloro-4'-nitrobiphenyl；3-chloro-4'-nitro-biphenyl；3-Chlor-4'-nitro-biphenyl；3'-Chlor-4-nitro-biphenyl；3-Chloro-4'-nitrodiphenyl；1-Chloro-3-(4-nitrophenyl)benzene
• CAS: 952-22-7
• 化学式: C₁₂H₈ClNO₂
• 分子量: 233.654
• InChiKey: KUKNPNHETDDFSQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2904909090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1-Chloro-3-(4-nitrophenyl)benzene
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-Chloro-3-(4-nitrophenyl)benzene
CAS number: 952-22-7

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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: C12H8ClNO2
Molecular weight: 233.6

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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, nitrogen oxides, hydrogen chloride.

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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-氯-3-(4-硝基苯基)苯 在 盐酸 、 sodium hydroxide 、 铁粉 作用下， 以 乙醇 为溶剂， 生成 4-联苯-3-氯羧酸
  参考文献：
  名称：

  一些取代的联苯-4-羧酸，4-联苯基乙酸和4-氨基联苯的合成

  摘要：

  描述了一系列取代的联苯-4-羧酸和4-氨基联苯的合成。包括母体联苯-4-羧酸，4-联苯基乙酸和三种取代的4-联苯基乙酸的制剂。

  DOI：

  10.1039/j39660000840
• 作为产物：
  描述：

  5-chloro-4'-nitro-biphenyl-2-ylamine 在 亚膦酸 作用下， 生成 1-氯-3-(4-硝基苯基)苯
  参考文献：
  名称：

  Shih et al., Journal of the Chemical Society, 1958, p. 2600,2602

  摘要：

  DOI：

文献信息

• Cubical Palladium Nanoparticles on C@Fe3O4 for Nitro reduction, Suzuki-Miyaura Coupling and Sequential Reactions
  作者：Basuvaraj Suresh Kumar、Arlin Jose Amali、Kasi Pitchumani

  DOI：10.1016/j.molcata.2016.08.003

  日期：2016.11

  Abstract Cubical Pd nanoparticles incorporated magnetically recyclable nanoreactor (Pd cNPs/C@Fe 3 O 4 ) are found to be efficient catalysts for the hydrogenation or aromatic nitrocompounds, Suzuki-Miyaura coupling and the sequential reaction of C C coupling followed by reduction of nitrobiphenyl substrates. A variety of aryl iodides, bromides and chlorides were coupled with phenylboronic acids to

  摘要 已发现掺入磁可回收纳米反应器 (Pd cNPs/C@Fe 3 O 4 ) 的立方 Pd 纳米粒子是氢化或芳族硝基化合物、Suzuki-Miyaura 偶联和 CC 偶联随后还原硝基联苯底物的顺序反应的有效催化剂。多种芳基碘化物、溴化物和氯化物与苯基硼酸偶联形成相应的联芳基产物，并对多种硝基芳族化合物进行加氢，收率高，TON。嵌入过量100}表面的钯立方纳米粒子（Pd cNPs）的催化活性优于嵌入混合表面刻面的Pd球形纳米粒子（Pd sNPs）。即使经过五次重复循环，催化效率也保持不变。观察到的催化活性增强归因于 Pd cNPs/C@Fe 3 O 4 催化剂表面存在的高密度低配位 Pd 100} 原子，这已通过 HR-TEM 研究得到证实。此外，该催化剂是真正的多相催化剂，高度稳定，不需要任何有毒配体，在硝基还原和 Suzuki-Miyaura 偶联反应中具有广泛的底物范围，以及以
• Rapid “Mix-and-Stir” Preparation of Well-Defined Palladium on Carbon Catalysts for Efficient Practical Use
  作者：Sergey A. Yakukhnov、Evgeniy O. Pentsak、Konstantin I. Galkin、Roman M. Mironenko、Vladimir A. Drozdov、Vladimir A. Likholobov、Valentine P. Ananikov

  DOI：10.1002/cctc.201700738

  日期：2018.4.24

  A facile direct deposition approach for the preparation of recyclable Pd/C catalysts simply by stirring a solution of tris(dibenzylideneacetone)dipalladium(0) with a suitable carbon material was evaluated. An extraordinarily rapid catalyst preparation procedure (<5 min) under mild conditions and its excellent performance in cross‐coupling and hydrogenation reactions were demonstrated. The key point

  评价了一种简单的直接沉积方法，该方法用于简单地通过搅拌三（二亚苄基丙酮）二钯（0）与合适的碳材料的溶液来制备可回收的Pd / C催化剂。证明了在温和条件下非常快速的催化剂制备程序（<5分钟）及其在交叉偶联和加氢反应中的优异性能。催化剂设计的关键是将Pd 0中心直接沉积在高度可及的表面积上，避免出现不确定的Pd II / Pd 0状态。
• Pseudo-Solid-State Suzuki-Miyaura Reaction and the Role of Water Formed by Dehydration of Arylboronic Acids
  作者：Evgeniy O. Pentsak、Valentine P. Ananikov

  DOI：10.1002/ejoc.201900410

  日期：2019.7.14

  Conditions for a solid‐state Suzuki–Miyaura reaction were analyzed in details. The results confirm the key role of water, which is formed as a by‐product in the side reaction of arylboronic acid trimerization.

  详细分析了固态Suzuki-Miyaura反应的条件。结果证实了水的关键作用，它是芳基硼酸三聚反应副产物中的副产物。
• N,S-chelating triazole-thioether ligand for highly efficient palladium-catalyzed Suzuki reaction
  作者：Qiong Yan、Lei Zheng、Miaomiao Li、Yunfeng Chen

  DOI：10.1016/j.jcat.2019.07.004

  日期：2019.8

  1,2,3-Triazole-thioether compounds could serve as efficient ligands for Pd-catalyzed Suzuki reactions of various aryl iodides, bromides and chlorides. The reactions feature wide substrate scope and mild reaction conditions. Besides, shorter reaction time, lower catalyst loadings and quantitative yields with a turnover-frequency (TOF) value of up to 11,880 h−1 are other advantageous of this attractive

  1,2,3-三唑-硫醚化合物可以用作钯催化的各种芳基碘化物，溴化物和氯化物的Suzuki反应的有效配体。该反应具有广泛的底物范围和温和的反应条件。此外，更短的反应时间，更低的催化剂载量和定量产率（TOF）值高达11,880 h -1的定量收率是该引人注目的方案的其他优点。晶体结构分析和计算研究表明，相应的螯合钯配合物的较高催化活性归因于较低的能隙和较低的氧化还原电势。
• Development of Unimolecular Tetrakis(piperidin-4-ol) as a Ligand for Suzuki-Miyaura Cross-Coupling Reactions: Synthesis of Incrustoporin and Preclamol
  作者：Jothi L. Nallasivam、Rodney A. Fernandes

  DOI：10.1002/ejoc.201500353

  日期：2015.6

  cross-coupling reactions under aerobic conditions. Various biaryls, terphenyls, and heterocyclic biphenyls were obtained in good to excellent yields. The ligands were also capable of catalyzing the Heck–Mizoroki reaction. As an application, the Suzuki–Miyaura coupling reaction was used in the synthesis of incrustoporin, its analogs, and the drug molecule preclamol.

  多米诺 aza-Cope/aza-Prins 级联反应合成了一类新的 4-羟基哌啶附加单分子、双、三和四单分子化合物，作为有效配体在有氧条件下催化 Suzuki-Miyaura 交叉偶联反应. 以良好到极好的收率获得了各种联芳基、三联苯和杂环联苯。配体还能够催化 Heck-Mizoroki 反应。作为应用，Suzuki-Miyaura 偶联反应用于合成肠壳孔蛋白、其类似物和药物分子 preclamol。