1-溴-4-(4-硝基苯氧基)苯 | 21969-04-0

• 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-4-(4-硝基苯氧基)苯
• 英文名称: 1-(4-nitrophenoxy)-4-bromobenzene
• 英文别名: 1-bromo-4-(4-nitrophenoxy)benzene；4-bromo-4'-nitro-diphenyl ether；4-bromo-4'-nitro-diphenylether；(4-bromo-phenyl)-(4-nitro-phenyl)-ether；(4-Brom-phenyl)-(4-nitro-phenyl)-aether；4-Brom-4'-nitro-diphenylaether；1-(4-bromophenoxy)-4-nitrobenzene
• CAS: 21969-04-0
• 化学式: C₁₂H₈BrNO₃
• mdl: MFCD00222614
• 分子量: 294.104
• InChiKey: MGYQHRSVAWPHIL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  55
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2909309090
• 包装等级：
  III
• 危险类别：
  9
• 危险性防范说明：
  P261,P264,P271,P272,P273,P280,P302+P352,P304+P340,P305+P351+P338,P310,P321,P333+P313,P362,P403+P233,P405,P501
• 危险品运输编号：
  3077
• 危险性描述：
  H303,H315,H317,H318,H335,H401
• 储存条件：
  室温密封，干燥保存。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1-Bromo-4-(4-nitrophenoxy)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-Bromo-4-(4-nitrophenoxy)benzene
CAS number: 21969-04-0

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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: C12H8BrNO3
Molecular weight: 294.1

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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 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-4-(4-硝基苯氧基)苯 生成 1-(2,4-二硝基苯氧基)-2,4-二硝基苯
  参考文献：
  名称：

  SOME DERIVATIVES OF DIPHENYL ETHER

  摘要：

  DOI：

  10.1021/ja01366a062
• 作为产物：
  描述：

  对硝基二苯醚 在 氢溴酸 、 氧气 、 sodium nitrite 作用下， 以 乙腈 为溶剂， 反应 6.0h， 以90%的产率得到1-溴-4-(4-硝基苯氧基)苯
  参考文献：
  名称：

  在温和条件下，亚硝酸钠催化的氢溴酸和分子氧的芳族化合物和芳基酮的氧溴化反应

  摘要：

  已经开发了在亚硝酸钠存在下，在温和条件下利用含水氢溴酸和分子氧的组合对芳族化合物和芳基酮进行氧溴化的新型高效催化体系。新开发的催化系统利用廉价且易于获得的反应物，具有很高的溴原子经济性，并且仅释放无毒的水作为副产物。

  DOI：

  10.1002/adsc.200505495

文献信息

• Palladium nanoparticles supported on natural nanozeolite clinoptilolite as a catalyst for ligand and copper-free C–C and C–O cross coupling reactions in aqueous medium
  作者：Seyed Meysam Baghbanian、Horieh Yadollahy、Mahmood Tajbakhsh、Maryam Farhang、Pourya Biparva

  DOI：10.1039/c4ra11411f

  日期：——

  In this article, Pd0-nanoparticles supported on natural nanozeolite clinoptilolite (CP) were successfully synthesized, and the catalytic activity of the nanocatalyst was investigated in C–C and C–O coupling reactions, namely the Sonogashira and Ullmann condensation reactions in an aqueous medium. The nanocatalyst was characterized by various techniques such as powder-XRD, BET, SEM, TEM, HRTEM, TEM-EDS

  在本文中，成功合成了负载在天然纳米沸石斜发沸石（CP）上的Pd 0-纳米颗粒，并在C-C和C-O偶联反应（即Sonogashira和Ullmann缩合反应）中研究了纳米催化剂的催化活性。中等的。纳米催化剂通过各种技术进行表征，例如粉末XRD，BET，SEM，TEM，HRTEM，TEM-EDS，ICP-OES和XPS。从电子显微镜（SEM）的研究可以推断出，这些颗粒大多为球形或椭圆形，直径范围为25至80 nm。一项HRTEM研究表明Pd 0负载在纳米沸石CP上的纳米粒子的平均直径约为10 nm。负载的钯纳米粒子在芳基炔烃和二芳基醚的高产率合成中显示出优异的催化活性。此外，纳米催化剂可以循环使用多次，而不会明显降低催化活性。
• First palladium-catalyzed denitrated coupling reaction of nitroarenes with phenols
  作者：Hailei Wang、Ajuan Yu、Aijuan Cao、Junbiao Chang、Yangjie Wu

  DOI：10.1002/aoc.3043

  日期：2013.10

  The first palladium‐catalyzed protocol for the denitrated coupling reaction of nitroarenes with phenols has been developed, achieving unsymmetrical diaryl ethers in moderate to excellent yields. The cyclopalladated ferrocenylimine (catalyst Ic) exhibited highly catalytic activity for this transformation with low catalyst loading (0.75 mol%) and short reaction time (2 h). The efficiency of this reaction

  已经开发出了第一个钯催化的硝基芳烃与苯酚的脱硝偶联反应方案，以中等到极好的收率获得了不对称的二芳基醚。环钯的二茂铁基亚胺（催化剂Ic）对这种转化反应显示出很高的催化活性，催化剂负载量低（0.75摩尔％），反应时间短（2小时）。该反应与一系列基团的相容性证明了该反应的效率。此外，在这些转换中不需要严格排除空气或湿气。版权所有©2013 John Wiley＆Sons，Ltd.
• Correlation between molecular dipole moment and centrosymmetry in some crystalline diphenyl ethers
  作者：Archan Dey、Gautam R. Desiraju

  DOI：10.1039/b502516h

  日期：——

  The presence of a large molecular dipole moment in diphenyl ethers leads unequivocally to a centrosymmetric crystal structure.

  二苯醚中大分子偶极矩的存在无疑导致了中心对称的晶体结构。
• CsF/clinoptilolite: an efficient solid base in S_NAr and copper-catalyzed Ullmann reactions
  作者：Hoda Keipour、Abolfazl Hosseini、Amir Afsari、Razieh Oladee、Mohammad A. Khalilzadeh、Thierry Ollevier

  DOI：10.1139/cjc-2015-0300

  日期：2016.1

  CsF/clinoptilolite was found to be an efficient solid base catalyst for both SNAr and Ullmann ether reactions. A general and efficient one-step procedure was developed for the synthesis of biaryl ethers via direct coupling of electron-deficient aryl halides to phenols using CsF/clinoptilolite. The protocol was also applied to electron-rich aryl halides by addition of a catalytic amount of copper oxide

  发现 CsF/斜发沸石是 SNAr 和 Ullmann 醚反应的有效固体碱催化剂。开发了一种通用且高效的一步法，通过使用 CsF/斜发沸石将缺电子的芳基卤化物直接偶联到酚类来合成联芳醚。该协议还通过添加催化量的氧化铜纳米粒子应用于富含电子的芳基卤化物。SNAr 和 Ullmann 反应都很快，并提供了良好的产率。
• Discovery of 1,2,4-triazole-1,3-disulfonamides as dual inhibitors of mitochondrial complex II and complex III
  作者：Hua Cheng、Yan-Qing Shen、Xia-Yan Pan、Yi-Ping Hou、Qiong-You Wu、Guang-Fu Yang

  DOI：10.1039/c5nj00215j

  日期：——

  1,2,4-Triazole-1,3-disulfonamide derivatives as dual function inhibitors of mitochondrial complex II (SQR) and complex III (cytbc₁) were discovered.

  1,2,4-三唑-1,3-二磺酰胺衍生物被发现具有线粒体复合物II（SQR）和复合物III（细胞色素bc1）的双功能抑制剂作用。