4-(3-硝基苯基)苯甲酸 | 5737-85-9

• 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: 4-(3-硝基苯基)苯甲酸
• 中文别名: 3'-硝基[1,1'-联苯]-4-羧酸
• 英文名称: 3'-nitro-biphenyl-4-carboxylic acid
• 英文别名: 3'-Nitro-biphenyl-4-carbonsaeure；3'-nitrobiphenyl-4-carboxylic acid；3-Nitro-diphenyl-carbonsaeure-(4')；4-(3-nitrophenyl)benzoic Acid
• CAS: 5737-85-9
• 化学式: C₁₃H₉NO₄
• mdl: MFCD01846432
• 分子量: 243.219
• InChiKey: VTIDLRLMTWAWBF-UHFFFAOYSA-N

物化性质

• 熔点：
  >300°
• 沸点：
  449.1±38.0 °C(Predicted)
• 密度：
  1.358±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  18
• 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：
  83.1
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2916399090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-(3-Nitrophenyl)benzoic acid
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: 4-(3-Nitrophenyl)benzoic acid
CAS number: 5737-85-9

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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: C13H9NO4
Molecular weight: 243.2

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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.

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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：

  4-(3-硝基苯基)苯甲酸 在 palladium-carbon sodium hydroxide 作用下， 以 水 为溶剂， 生成 3-氨基-联苯-4-羧酸
  参考文献：
  名称：

  Derivatives of aminobenzoic and aminobiphenylcarboxylic acids useful as anti-cancer agents

  摘要：

  本发明提供具有以下结构的化合物： 其中n为0或1； R为—NH2或 其中R1和R2分别选自H、烷基、芳基烷基、杂环芳基、羧基、羧基烷基和氨基甲酰基的群组； Q为R3C(O)—或 其中R5选自H、烷基、芳基烷基、杂环芳基和氨基甲酰基烷基的群组，R3和R4选自H、烷基、烷氧基、芳基烷氧基、芳基烷基、杂环芳基和氨基甲酰基烷基的群组； 公式I化合物的Q—NH—(CH2)n—和—C(O)R取代基独立地相对于形成两个苯基之间的碳原子定位于邻位、间位或对位，但前提是这些取代基不会同时定位于邻位；以及 公式II化合物的Q—NH—(CH2)n和—C(O)R取代基相对于彼此定位于间位或对位； 或其生物可降解酯，或其药学上可接受的盐。这些化合物可用于治疗uPA或uPAR介导的疾病，例如肿瘤转移、肿瘤血管生成、再狭窄、慢性炎症或角膜血管生成。

  公开号：

  US06228985B1
• 作为产物：
  描述：

  1-(3'-硝基-4-联苯基)乙酮 在 sodium hypobromide 作用下， 以 1,4-二氧六环 为溶剂， 生成 4-(3-硝基苯基)苯甲酸
  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

文献信息

• Poly(o-aminothiophenol)-stabilized Pd nanoparticles as efficient heterogenous catalysts for Suzuki cross-coupling reactions
  作者：Yuan Chen、Minggui Wang、Long Zhang、Yan Liu、Jie Han

  DOI：10.1039/c7ra09947a

  日期：——

  surfactant. The redox reaction between o-aminothiophenol and Pd(NO3)2 leads to the simultaneous formation of a PATP polymer and Pd nanoparticles. The PATP-stabilized Pd nanoparticles have been characterized by TEM, FTIR, XRD, ICP-MS and XPS. Catalytic results showed that PATP-stabilized Pd nanoparticles were highly stable and active catalysts for Suzuki cross-coupling reactions, where high yields could

  聚（Ô -aminothiophenol）（PATP） -稳定的钯纳米粒子与钯纳米粒子包埋在聚合物基质已通过混合通过一个浅显一步法途径获得ö -aminothiophenol单体和Pd（NO 3）2在酸性水溶液中，而不其他模板或表面活性剂。邻氨基苯硫酚与Pd（NO 3）2的氧化还原反应导致同时形成PATP聚合物和Pd纳米颗粒。通过TEM，FTIR，XRD，ICP-MS和XPS对PATP稳定的Pd纳米颗粒进行了表征。催化结果表明，PATP稳定的Pd纳米颗粒是铃木交叉偶联反应的高度稳定和活性催化剂，其中芳基硼酸和带有多种取代基的芳基卤化物可以实现高收率。
• Oxidative cyclisation of diphenyl-2 carboxylic acid
  作者：G.W. Kenner、M.A. Murray、C.M.B. Tylor

  DOI：10.1016/0040-4020(57)88048-x

  日期：1957.1

  carboxylic acid to the lactone (II; R = H) has been accomplished by oxidation with chromic acid or hydrogen peroxide and its derivatives, by decomposition of the diacyl peroxide derived from this acid, and by electrolysis of its sodium salts. From the effects of several 3′-substituents (R = OMe, NHCOCH3, CH, NO2) on these reactions it has been concluded that the oxidations with chromic acid and hydrogen

  通过用铬酸或过氧化氢及其衍生物氧化，分解由该酸衍生的二酰基过氧化物并对其钠进行电解，可以完成二苯基-2羧酸脱氢成内酯（II； R = H）的反应。盐。从几种3'取代基（R = OMe，NHCOCH 3，CH，NO 2）对这些反应的影响，可以得出结论，铬酸和过氧化氢等的氧化是通过氧化剂与羧酸的连接而进行的。基团和相邻环中随后的阳离子类化合物取代。自由基（III）被认为是另外两个环化中的中间体。
• Novel bicyclic hydroxamates as inhibitors of histone deacetylase
  申请人：Leahy M Ellen

  公开号：US20060058553A1

  公开（公告）日：2006-03-16

  The present invention is directed to certain bicyclic hydroxamate derivatives that are inhibitors of histone deacetylase and are therefore useful in the treatment of diseases associated with histone deacetylase activity. Pharmaceutical compositions and processes for preparing these compounds are also disclosed

  本发明涉及某些双环羟肟衍生物，它们是组蛋白去乙酰化酶的抑制剂，因此可以用于治疗与组蛋白去乙酰化酶活性相关的疾病。本发明还公开了制备这些化合物的制药组合物和过程。
• NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE
  申请人：BISCHOFF Alexander

  公开号：US20090221583A1

  公开（公告）日：2009-09-03

  The present invention relates to piperazine derivatives that act as inhibitors of stearoyl-CoA desaturase. The invention also relates to methods of preparing the compounds, compositions containing the compounds, and to methods of treatment using the compounds.

  本发明涉及作为硬脂酰辅酶A去饱和酶抑制剂的吡啶二元衍生物。本发明还涉及制备该化合物的方法、含有该化合物的组合物以及使用该化合物进行治疗的方法。
• The Dissociation Constants of Substituted 4-Biphenylcarboxylic Acids¹
  作者：Ernst Berliner、Elizabeth A. Blommers

  DOI：10.1021/ja01150a021

  日期：1951.6