4-氨基-4'-溴二苯基砜 | 6626-22-8

• 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-氨基-4'-溴二苯基砜
• 英文名称: 4-((4-bromophenyl)sulfonyl)aniline
• 英文别名: 4-(4-bromo-benzenesulfonyl)-aniline；4-(4-Brom-benzolsulfonyl)-anilin；4-(4-Brom-phenylsulfon)-anilin；(4-Brom-phenyl)-(4-amino-phenyl)-sulfon；4-(4-bromophenylsulphonyl)-aniline；4-(4-Bromophenyl)sulfonylaniline
• CAS: 6626-22-8
• 化学式: C₁₂H₁₀BrNO₂S
• mdl: MFCD00025349
• 分子量: 312.187
• InChiKey: NQFSNUDQTQPXEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 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：
  68.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2921420090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-[(4-Bromobenzene)sulfonyl]aniline
Synonyms: 4-Amino-4’-bromodiphenylsulfone

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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-[(4-Bromobenzene)sulfonyl]aniline
CAS number: 6626-22-8

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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, refrigerated.
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: C12H10BrNO2S
Molecular weight: 312.2

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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, hydrogen bromide, sulfur 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-氨基-4'-溴二苯基砜 在 氨 、 水 、 铜 作用下， 生成 氨苯砜
  参考文献：
  名称：

  Studies in the Sulfone Series. III.¹ The Preparation and Properties of 2,8-Diaminothiaxanthone- and 2,8-Thiaxanthene-5-dioxides and Some Related Compounds

  摘要：

  DOI：

  10.1021/ja01200a025
• 作为产物：
  描述：

  对氟硝基苯 在 tin(II) chloride dihdyrate 、 potassium carbonate 、 间氯过氧苯甲酸 作用下， 以 乙醇 、 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 反应 35.25h， 生成 4-氨基-4'-溴二苯基砜
  参考文献：
  名称：

  [EN] 4- { [ ( PYRIDIN- 3 - YL -METHYL) AMINOCARBONYL] AMINO} BENZENE - SULFONE DERIVATIVES AS NAMPT INHIBITORS FOR THERAPY OF DISEASES SUCH AS CANCER
  [FR] DÉRIVÉS DE 4-{[(PYRIDIN-3-YL-MÉTHYL)AMINOCARBONYL]AMINO}BENZÈNE-SULFONE EN TANT QU'INHIBITEURS DE NAMPT UTILISÉS DANS LE TRAITEMENT DE MALADIES TELLES QUE LE CANCER

  摘要：

  公开号：

  WO2012031196A9

文献信息

• Myobacterium Tuberculosis-Thioredoxin Reductase Inhibitor as an Antitubercular Agent
  申请人：Technische Universität Dortmund

  公开号：US20200123130A1

  公开（公告）日：2020-04-23

  The invention relates to Mycobacterium tuberculosis -thioredoxin reductase inhibitors, processes for the preparation thereof, drugs containing said compounds, and the use of said compounds for manufacturing drugs.

  该发明涉及结核分枝杆菌-硫氧还蛋白还原酶抑制剂，其制备方法，含有该化合物的药物，以及利用该化合物制造药物的用途。
• NOVEL SULFAMOYL-PHENYL-UREIDO COMPOUNDS AND THEIR USE AS MEDICAMENT
  申请人：PEGORARO Stefano

  公开号：US20100197640A1

  公开（公告）日：2010-08-05

  The present invention relates to novel sulfamoyl-phenyl-ureido compounds having the formula (I) or a physiologically acceptable salt or derivative thereof which are suitable for the therapy of infections caused by protozoa and in particular uncomplicated or severe malaria caused by plasmodia.

  本发明涉及具有化学式（I）的新型磺胺酰基苯基脲类化合物或其生理上可接受的盐或衍生物，适用于治疗由原虫引起的感染，特别是由疟原虫引起的非并发或严重疟疾。
• [EN] PROCESS FOR SYNTHESIS OF 4-4'-DIAMINO-DIPHENYL-SULFONE<br/>[FR] PROCESSUS DE SYNTHESE DE 4-4'-DIAMINO-DIPHENYL-SULFONE
  申请人：LUNDBECK PHARMACEUTICALS ITALY

  公开号：WO2006002690A1

  公开（公告）日：2006-01-12

  A new process for the preparation and purification of 4-4'-diamino-diphenyl-sulfone (dapsone) is described. The process described is a three step process comprising a condensation reaction with the synthesis of a thioeter intermediate and then steps of oxidation and reduction in suitable conditions in order to obtain a product with good yield and purity.

  描述了一种制备和纯化4-4'-二氨基二苯砜（二苯胺）的新工艺。所述工艺是一个三步工艺，包括与合成硫醚中间体的缩合反应，然后在适当条件下进行氧化和还原步骤，以获得产量和纯度良好的产品。
• NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT
  申请人：Bair Kenneth W.

  公开号：US20130273034A1

  公开（公告）日：2013-10-17

  The present invention relates to compounds and compositions for the inhibition of NAMPT, their synthesis, applications and antidotes. An illustrative compound of the invention is shown below:

  本发明涉及用于抑制NAMPT的化合物和组合物、它们的合成、应用和解毒剂。本发明的一种示例化合物如下所示：
• MYCOBACTERIUM-TUBERCOLOSIS-THIOREDOXINREDUKTASE-INHIBITOR ALS ANTITUBERKULOTIKUM
  申请人：Technische Universität Dortmund

  公开号：EP3424906A1

  公开（公告）日：2019-01-09

  Die Erfindung betrifft Mycobacterium-tubercolosis-Thioredoxinreduktase-Inhibitoren, Verfahren zu deren Herstellung, Arzneimittel enthaltend diese Verbindungen und die Verwendung dieser Verbindungen zur Herstellung von Arzneimitteln.

  本发明涉及结核分枝杆菌硫代氧化还原酶抑制剂、其制备工艺、含有这些化合物的药物以及使用这些化合物制备药物。