1-溴-2-甲氧基-3-硝基苯 | 98775-19-0

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 烃类硝化物
• 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: 1-溴-2-甲氧基-3-硝基苯
• 中文别名: 2-溴-6-硝基苯甲醚
• 英文名称: 1-bromo-2-methoxy-3-nitrobenzene
• CAS: 98775-19-0
• 化学式: C₇H₆BrNO₃
• 分子量: 232.034
• InChiKey: YAYBLVOBUIXMQY-UHFFFAOYSA-N

物化性质

• 沸点：
  296.4±20.0 °C(Predicted)
• 密度：
  1.640±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：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  55
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2909309090
• 危险性防范说明：
  P280,P305+P351+P338,P310
• 危险性描述：
  H302,H315,H319,H332,H335
• 储存条件：
  室温且干燥

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1-Bromo-2-methoxy-3-nitrobenzene
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-2-methoxy-3-nitrobenzene
CAS number: 98775-19-0

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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: C7H6BrNO3
Molecular weight: 232

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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-2-甲氧基-3-硝基苯 在 哌啶 、 N,N-二甲基甲酰胺 草酰氯 、 硫酸 、 氨 、 氢溴酸 、 锌 作用下， 以 1,4-二氧六环 、 N-甲基吡咯烷酮 、 乙醇 、 二氯甲烷 、 氯仿 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 6.08h， 生成 3-(hydroxymethyl)-5-oxo-3,5-dihydro-2H-[1,4]oxazino[2,3,4-ij]quinoline-10-carbonitrile
  参考文献：
  名称：

  WO2008/120003

  摘要：

  公开号：
• 作为产物：
  描述：

  2-溴-6-硝基苯酚 以76的产率得到1-溴-2-甲氧基-3-硝基苯
  参考文献：
  名称：

  [EN] REGULATED ACTIVATION OF CELL-MEMBRANE RECEPTORS BY METAL-CHELATING AGONISTS
  [FR] ACTIVATION REGULEE DES RECEPTEURS DE LA MEMBRANE CELLULAIRE AU MOYEN D'AGONISTES CHELATEURS DES METAUX

  摘要：

  发明了一种通过小分子药物激活细胞膜受体的调节方法。同时，还发明了一种方法，通过跨膜区特定单点突变使细胞膜受体对小分子化合物的激活产生响应。

  公开号：

  WO2002057300A1
• 作为试剂：
  描述：

  2-溴-6-硝基苯酚 、 碘甲烷 、 potassium carbonate 在 乙酸乙酯 、 水 、 盐酸 、 碳酸氢钠 、 magnesium sulfate 、 silica gel 、 1-溴-2-甲氧基-3-硝基苯 作用下， 以 丙酮 为溶剂， 反应 40.0h， 以to obtain the title compound 1-bromo-2-methoxy-3-nitro-benzene 1e (44.59 g, yield 90.0%) as a brown solid的产率得到1-溴-2-甲氧基-3-硝基苯
  参考文献：
  名称：

  Salts of bicyclo-substituted pyrazolon azo derivatives, preparation method and use thereof

  摘要：

  本发明涉及一种通式（I）所表示的双环取代吡唑酮偶氮衍生物的医药上可接受的盐、其制备方法、含有它们的制药组合物以及它们作为治疗剂的用途，特别是作为血小板生成素（TPO）拟态剂和它们作为血小板生成素受体激动剂的用途。通式（I）中取代基的定义与描述相同。

  公开号：

  US08642637B2

文献信息

• INDOLINONE ANALOGUES
  申请人：ENGELHARDT Harald

  公开号：US20140296229A1

  公开（公告）日：2014-10-02

  The present invention encompasses compounds of general formula (I) wherein the groups R 1 to R 4 , A 1 and A 2 have the meanings given in the claims and in the specification. The compounds of the invention are suitable for the treatment of diseases characterized by excessive or abnormal cell proliferation pharmaceutical preparations containing such compounds and their uses as a medicament.

  本发明涵盖了一般式（I）的化合物， 其中基团R1至R4，A1和A2具有权利要求和说明书中给定的含义。本发明的化合物适用于治疗以细胞过度或异常增殖为特征的疾病，包括含有这些化合物的药物制剂以及它们作为药物的用途。
• [EN] INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS<br/>[FR] COMPOSÉS MODULATEURS DE RÉCEPTEURS INTRACELLULAIRES ET PROCÉDÉS DE PRODUCTION ET D'UTILISATION DE CEUX-CI
  申请人：LIGAND PHARM INC

  公开号：WO2006019716A1

  公开（公告）日：2006-02-23

  This invention relates to compounds of Formula I, II or III with the definitions of R1-R10 according to claim 1 that bind to intracellular receptors and/or modulate activity of intracellular receptors, and to methods for making and using such compounds.

  这项发明涉及具有根据权利要求1中R1-R10的定义的化合物I、II或III，这些化合物与细胞内受体结合和/或调节细胞内受体活性，并涉及制备和使用这类化合物的方法。
• [EN] INDOLINONE ANALOGUES AS BRD4 INHIBITORS<br/>[FR] ANALOGUES D'INDOLINE EN TANT QU'INHIBITEURS DE BRD4
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2014154760A1

  公开（公告）日：2014-10-02

  The present invention encompasses compounds of general formula (I) wherein the groups R1 to R4, A1 and A2 have the meanings given in the claims and in the specification. The compounds of the invention are suitable for the treatment of diseases characterized by excessive or abnormal cell proliferation pharmaceutical preparations containing such compounds and their uses as a medicament.

  本发明涵盖了一般式（I）中的化合物，其中基团R1至R4，A1和A2具有权利要求和说明书中给定的含义。本发明的化合物适用于治疗以细胞过度或异常增殖为特征的疾病，包括含有这些化合物的药物制剂以及它们作为药物的用途。
• [EN] CXCR3 RECEPTOR AGONISTS<br/>[FR] AGONISTES DU RÉCEPTEUR CXCR3
  申请人：CELGENE INT II SARL

  公开号：WO2018045246A1

  公开（公告）日：2018-03-08

  Compounds are provided having the structure of the following Formula I: where R, R1, R2, R3a and R3b are as defined herein. Pharmaceutical compositions comprising such compounds, as well as methods related to their manufacture and use, are also provided.

  提供具有以下式I结构的化合物：其中R、R1、R2、R3a和R3b如本文所述定义。还提供了包含这些化合物的药物组合物，以及与它们的制造和使用相关的方法。
• [EN] TYK2 INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE TYK2 ET LEURS UTILISATIONS
  申请人：NIMBUS LAKSHMI INC

  公开号：WO2018071794A1

  公开（公告）日：2018-04-19

  The present invention provides compounds, compositions thereof, and methods of using the same for the inhibition of TYK2, and the treatment of TYK2-mediated disorders.

  本发明提供了化合物、其组合物以及使用它们来抑制TYK2并治疗TYK2介导的疾病的方法。