2-氟-4-溴-6-硝基苯胺 | 517920-70-6

• 物质功能分类: 有机原料 - 氨基化合物
• 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: 2-氟-4-溴-6-硝基苯胺
• 中文别名: 2-硝基-4-溴-6-氟苯胺；4-溴-2-氟-6-硝基苯胺
• 英文名称: 4-bromo-2-fluoro-6-nitroaniline
• CAS: 517920-70-6
• 化学式: C₆H₄BrFN₂O₂
• 分子量: 235.012
• InChiKey: UXLRNUCHBXKRBL-UHFFFAOYSA-N

物化性质

• 沸点：
  292.1±35.0 °C(Predicted)
• 密度：
  1.896±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  71.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2921420090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  2-8°C

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Bromo-2-fluoro-6-nitroaniline
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-Bromo-2-fluoro-6-nitroaniline
CAS number: 517920-70-6

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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: C6H4BrFN2O2
Molecular weight: 235.0

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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 fluoride, 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：

  2-氟-4-溴-6-硝基苯胺 在 potassium thioacyanate 、 sodium nitrite 作用下， 生成 5-bromo-1-fluoro-3-nitro-2-thiocyanatobenzene
  参考文献：
  名称：

  TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE

  摘要：

  本文描述了具有磷脂酰肌醇-3激酶（PI3K）调节活性或功能的三环化合物，具有以下结构的Formula I结构：或其立体异构体、互变异构体或药学上可接受的盐，以及所述的取代基和结构特征。还描述了包括Formula I化合物的药物组合物和药物，以及使用这种PI3K调节剂的方法，单独或与其他治疗剂联合治疗依赖于PI3K失调的疾病或病况。

  公开号：

  US20180065983A1
• 作为产物：
  描述：

  5-溴-2,3-二氟-1-硝基苯 在 ammonium carbonate 、 三乙胺 作用下， 以85%的产率得到2-氟-4-溴-6-硝基苯胺
  参考文献：
  名称：

  TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE

  摘要：

  本文描述了具有磷脂酰肌醇-3激酶（PI3K）调节活性或功能的三环化合物，具有以下结构的Formula I结构：或其立体异构体、互变异构体或药学上可接受的盐，以及所述的取代基和结构特征。还描述了包括Formula I化合物的药物组合物和药物，以及使用这种PI3K调节剂的方法，单独或与其他治疗剂联合治疗依赖于PI3K失调的疾病或病况。

  公开号：

  US20180065983A1

文献信息

• Anti-Viral Compounds
  申请人：DeGoey David A.

  公开号：US20100317568A1

  公开（公告）日：2010-12-16

  Compounds effective in inhibiting replication of Hepatitis C virus (“HCV”) are described. This invention also relates to processes of making such compounds, compositions comprising such compounds, and methods of using such compounds to treat HCV infection.

  描述了一种有效抑制丙型肝炎病毒（“HCV”）复制的化合物。本发明还涉及制备这种化合物的方法、包含这种化合物的组合物，以及使用这种化合物治疗HCV感染的方法。
• INDOLE CARBOXAMIDE COMPOUNDS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20160115126A1

  公开（公告）日：2016-04-28

  Disclosed are compounds of Formula (I): or a salt thereof, wherein: X is CR 4 or N; R 1 , R 2 , R 3 , R 4 , and A are defined herein. Also disclosed are methods of using such compounds as inhibitors of Bruton's tyrosine kinase (Btk), and pharmaceutical compositions comprising such compounds. These compounds are useful in treating, preventing, or slowing the progression of diseases or disorders in a variety of therapeutic areas, such as autoimmune diseases and vascular disease.

  揭示了Formula (I)的化合物： 或其盐，其中：X为CR 4 或N；R 1 ，R 2 ，R 3 ，R 4 和A在此处定义。还揭示了使用这些化合物作为Bruton's酪氨酸激酶（Btk）抑制剂的方法，以及包含这些化合物的药物组合物。这些化合物在治疗、预防或减缓各种治疗领域的疾病或疾病的进展方面非常有用，如自身免疫疾病和血管疾病。
• [EN] PHTHALAZINE DERIVATIVES AS INHIBITORS OF PARP1, PARP2 AND/OR TUBULIN USEFUL FOR THE TREATMENT OF CANCER<br/>[FR] DÉRIVÉS DE PHTALAZINE UTILES EN TANT QU'INHIBITEURS DE PARP1, PARP2 ET/OU DE TUBULINE DANS LE TRAITEMENT DU CANCER
  申请人：UNIV CALIFORNIA

  公开号：WO2017223516A1

  公开（公告）日：2017-12-28

  The application relates to phthalazine derivatives of formula (I) which are inhibitors of PARP1, PARP2 and/or tubulin and thus useful for the treatment of cancer. Also disclosed are pharmaceutical formulations containing such compounds, as well as combinations of these compounds with at least one additional therapeutic agent.

  该应用涉及公式（I）的邻苯二氮杂环衍生物，它们是PARP1、PARP2和/或微管的抑制剂，因此对于癌症的治疗是有用的。还披露了含有这些化合物的药物配方，以及这些化合物与至少一种额外治疗剂的组合。
• 作为FGFR4抑制剂的杂环化合物
  申请人：齐鲁制药有限公司

  公开号：CN112341431A

  公开（公告）日：2021-02-09

  本发明提供了作为成纤维细胞生长因子受体4(FGFR4)选择性抑制剂的杂环化合物，含有所述化合物的药物组合物，所述化合物的制备方法和以及利用本发明化合物治疗细胞增殖性疾病，例如癌症的方法。
• [EN] LXR MODULATORS<br/>[FR] MODULATEURS DES LXR
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2014144037A1

  公开（公告）日：2014-09-18

  The present invention provides compounds of Formula I: and pharmaceutically acceptable salts or solvates thereof, as modulators of liver X receptors (LXR), compositions comprising any of such novel compounds, methods of using these compounds or compositions as medicaments for prevention or treatment of diseases or disorders related to liver X receptor (LXR), as well as methods of preparing these LXR modulators and using them in the manufacture of medicaments.

  本发明提供了式I的化合物及其药学上可接受的盐或溶剂化合物，作为肝X受体（LXR）的调节剂，包括任何此类新化合物的组合物，使用这些化合物或组合物作为预防或治疗与肝X受体（LXR）相关的疾病或紊乱的药物的方法，以及制备这些LXR调节剂的方法，并将它们用于药物的制造。