5-溴-2-甲基苯磺酰胺 | 56919-16-5

• 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: 5-溴-2-甲基苯磺酰胺
• 英文名称: 5-bromo-2-methylbenzenesulfonamide
• CAS: 56919-16-5
• 化学式: C₇H₈BrNO₂S
• mdl: MFCD06368826
• 分子量: 250.116
• InChiKey: FXNSWDXUWUJLLI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  68.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2935009090
• 储存条件：
  室温

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 5-Bromo-2-methylbenzenesulfonamide
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: 5-Bromo-2-methylbenzenesulfonamide
CAS number: 56919-16-5

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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: C7H8BrNO2S
Molecular weight: 250.1

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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, 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：

  5-溴-2-甲基苯磺酰胺 在 氢氧化钾 、 sodium hydroxide 、 potassium permanganate 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 生成 methyl 2-(6-bromo-1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetate
  参考文献：
  名称：

  Kwon, Soon-Kyoung; Park, Myung-Sook, Arzneimittel-Forschung/Drug Research, 1996, vol. 46, # 10, p. 966 - 971

  摘要：

  DOI：
• 作为产物：
  描述：

  5-溴-2-甲基苯-1-磺酸 在 五氯化磷 、 氨 作用下， 生成 5-溴-2-甲基苯磺酰胺
  参考文献：
  名称：

  Huebner; Retschy; Haesselbarth, Justus Liebigs Annalen der Chemie, 1873, vol. 169, p. 21

  摘要：

  DOI：

文献信息

• Pyridine derivatives and pharmaceutical compositions containing them
  申请人：AstraZeneca AB

  公开号：US06300352B1

  公开（公告）日：2001-10-09

  The invention relates to novel pyridyl derivatives, their use as medicaments, pharmaceutical formulations containing them and methods for their preparation.

  这项发明涉及新型吡啶衍生物，其用作药物，含有它们的药物配方以及它们的制备方法。
• [EN] COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA<br/>[FR] COMPOSÉS POUR LE TRAITEMENT ET LA PRÉVENTION DE LA GRIPPE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2011094953A1

  公开（公告）日：2011-08-11

  A compound of formula (I) as well as pharmaceutically acceptable salt thereof, wherein R1 to R4 and Ar are as defined in description and in claims, can be used as a medicament.

  化合物的化学式（I）及其药学上可接受的盐，其中R1至R4和Ar如描述和索赔中定义的那样，可用作药物。
• COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA
  申请人：Chen Li

  公开号：US20110195979A1

  公开（公告）日：2011-08-11

  A compound of formula (I) as well as pharmaceutically acceptable salt thereof, wherein R 1 to R 4 and Ar are as defined in description and in claims, can be used as a medicament.

  化合物的化学式（I）及其药用盐，其中R1至R4和Ar如描述和权利要求中所定义，可用作药物。
• Design and Synthesis of Fused Pyridine Building Blocks for Automated Library Generation
  作者：Helena Mora‐Radó、Werngard Czechtizky、María Méndez、Joseph P. A. Harrity

  DOI：10.1002/cmdc.202000852

  日期：2021.1.19

  We demonstrate that a diboration‐electrocyclization sequence provides access to a range of pyridine‐fused, small‐molecule boronic ester building blocks, and that these are amenable to high‐throughput synthesis leading to biaryl and ether‐linked compound libraries. Moreover, the implementation of an integrated physicochemical and ADME profiling workflow allows accelerated design of novel lead compounds

  我们证明了二硼化-电环化序列可以访问一系列吡啶稠合的小分子硼酸酯结构单元，并且这些结构单元适用于高通量合成，从而产生联芳基和醚连接的化合物库。此外，整合物理化学和 ADME 分析工作流程的实施允许加速设计用于药物发现项目的新型先导化合物。
• The discovery of fluazaindolizine: A new product for the control of plant parasitic nematodes
  作者：George P. Lahm、Johan Desaeger、Ben K. Smith、Thomas F. Pahutski、Michel A. Rivera、Tony Meloro、Roman Kucharczyk、Renee M. Lett、Anne Daly、Brenton T. Smith、Daniel Cordova、Tim Thoden、John A. Wiles

  DOI：10.1016/j.bmcl.2017.02.029

  日期：2017.4

  Fluazaindolizine is a new highly effective and selective product for the control of plant parasitic nematodes. Specificity for nematodes coupled with absence of activity against the target sites of commercial nematicides suggests that fluazaindolizine has a novel mode of action. The discovery, structure-activity development and biological properties for this new class of nematicides are presented.

  Fluazaindolizine是控制植物寄生线虫的新型高效选择性产品。线虫的特异性加上对商业杀线虫剂的靶位点缺乏活性表明氟氮吲哚嗪具有新颖的作用方式。介绍了这种新型杀线虫剂的发现，结构活性的发展和生物学特性。