3-氟-5-硝基苯酚 | 2369-10-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 3-氟-5-硝基苯酚
• 英文名称: 3-fluoro-5-nitrophenol
• CAS: 2369-10-0
• 化学式: C₆H₄FNO₃
• mdl: MFCD09832852
• 分子量: 157.101
• InChiKey: YOMAXLMXNGCFRA-UHFFFAOYSA-N

物化性质

• 熔点：
  112 °C
• 沸点：
  281.4±25.0 °C(Predicted)
• 密度：
  1.511±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  11
• 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：
  66
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2908999090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Fluoro-5-nitrophenol
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: 3-Fluoro-5-nitrophenol
CAS number: 2369-10-0

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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, 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: C6H4FNO3
Molecular weight: 157.1

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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 fluoride.

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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：

  3-氟-5-硝基苯酚 在 tris-(dibenzylideneacetone)dipalladium(0) 乙醇 、 potassium carbonate 、 N,N-二异丙基乙胺 、 tin(ll) chloride 、 2-二环己基磷-2,4,6-三异丙基联苯 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 、 叔丁醇 为溶剂， 反应 17.58h， 生成 N-(3-((5-chloro-2-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)-7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)-5-fluorophenyl)acrylamide
  参考文献：
  名称：

  [EN] COMPOUNDS THAT MODULATE EGFR ACTIVITY AND METHODS FOR TREATING OR PREVENTING CONDITIONS THEREWITH
  [FR] COMPOSÉS QUI MODULENT L'ACTIVITÉ EGFR ET DES PROCÉDÉS POUR TRAITER OU PRÉVENIR DES AFFECTIONS AVEC CEUX-CI

  摘要：

  提供了用于治疗或预防激酶介导的疾病的化合物和方法。

  公开号：

  WO2011079231A1
• 作为产物：
  描述：

  3-fluoro-5-nitro-phenetole 在 盐酸 作用下， 生成 3-氟-5-硝基苯酚
  参考文献：
  名称：

  Degiorgi; Zappi, Bulletin de la Societe Chimique de France, 1937, vol. <5> 4, p. 1636,1640, 1641

  摘要：

  DOI：

文献信息

• PYRAZOLOPYRIDINE COMPOUNDS AND USES THEREOF
  申请人：Incyte Corporation

  公开号：US20180072720A1

  公开（公告）日：2018-03-15

  Disclosed are compounds of Formula (I), methods of using the compounds for inhibiting HPK1 activity and pharmaceutical compositions comprising such compounds. The compounds are useful in treating, preventing or ameliorating diseases or disorders associated with HPK1 activity such as cancer.

  揭示了化合物的公式（I），使用这些化合物抑制HPK1活性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、预防或改善与HPK1活性相关的疾病或紊乱方面是有用的，如癌症。
• [EN] CARBAZOLE AND CARBOLINE COMPOUNDS FOR USE IN THE DIAGNOSIS, TREATMENT, ALLEVIATION OR PREVENTION OF DISORDERS ASSOCIATED WITH AMYLOID OR AMYOLID-LIKE PROTEINS<br/>[FR] COMPOSÉS DE CARBAZOLE ET DE CARBOLINE DESTINÉS À ÊTRE UTILISÉS DANS LE DIAGNOSTIC, LE TRAITEMENT, L'ATTÉNUATION OU LA PRÉVENTION DE TROUBLES ASSOCIÉS AUX PROTÉINES AMYLOÏDES ET DE TYPE AMYLOÏDE
  申请人：AC IMMUNE SA

  公开号：WO2015110263A1

  公开（公告）日：2015-07-30

  The present invention relates to novel compounds that can be employed in the diagnosis, treatment, alleviation or prevention of a group of disorders and abnormalities associated with amyloid proteins and amyloid-like proteins, such as Alzheimer's disease. Precursors for the preparation of the compounds according to the present invention are also provided.

  本发明涉及一种新型化合物，可用于诊断、治疗、缓解或预防与淀粉样蛋白和类淀粉样蛋白相关的一组疾病和异常，如阿尔茨海默病。本发明还提供了制备这些化合物的前体。
• Carbazole and Carboline Compounds for Use in the Diagnosis, Treatment, Alleviation or Prevention of Disorders Associated with Amyloid or Amyloid-Like Proteins
  申请人：AC IMMUNE SA

  公开号：US20170002005A1

  公开（公告）日：2017-01-05

  The present invention relates to novel compounds that can be employed in the diagnosis, treatment, alleviation or prevention of a group of disorders and abnormalities associated with amyloid proteins and amyloid-like proteins, such as Alzheimer's disease. Precursors for the preparation of the compounds according to the present invention are also provided.

  本发明涉及可用于诊断、治疗、缓解或预防与淀粉样蛋白和类淀粉样蛋白相关的一组疾病和异常的新化合物，如阿尔茨海默病。本发明还提供了制备这些化合物的前体。
• Synthesis of task-specific imidazolium ionic liquid as an efficient catalyst in acetylation of alcohols, phenols, and amines
  作者：Snehkrishn A. Chaubey、Roli Mishra

  DOI：10.1007/s11696-020-01150-0

  日期：2020.10

  (Boc-NH-EMIM.OAc), as an efficient catalyst for the acetylation of alcohols, phenols, and amines in the presence of acetic anhydride (acetylating reagent). Remarkably, acetic anhydride in the presence of 10 mol% of catalyst (Boc-NH-EMIM.OAc) under solvent-free conditions showed excellent acetylation activity in shorter duration of time. On the basis of this, a general procedure for acetylation of alcohols, phenols

  在这里，我们报告任务特定的氨基功能化的咪唑鎓离子液体，乙酸盐1-（2-叔丁氧基羰基氨基-乙基）-3-甲基-3H-咪唑-1-鎓的合成；（Boc-NH-EMIM.OAc），作为在乙酸酐（乙酰化试剂）存在下将醇，酚和胺乙酰化的有效催化剂。值得注意的是，在无溶剂条件下，乙酸酐在10摩尔％的催化剂（Boc-NH-EMIM.OAc）的存在下表现出优异的乙酰化活性。基于此，已经开发出醇，酚和胺的乙酰化的通用方法。离子液体（Boc-NH-EMIM.OAc）可以轻松回收并成功重复使用多达四个连续循环，而不会显着降低其催化活性。我们已经能够证明该乙酰化方法具有许多优点。它具有高收率，更短的时间，并开发了良性环保工艺的可能性。
• Heterocyclic herbicides
  申请人：E.I. DU PONT DE NEMOURS AND COMPANY

  公开号：EP0863142A1

  公开（公告）日：1998-09-09

  Compounds of Formula I, and their N-oxides and agriculturally suitable salts, are disclosed which are useful for controlling undesired vegetation wherein Q is and W,X,R1-R7 are as defined in the disclosure. Also disclosed are compositions containing the compounds of Formula I and a method for controlling undesired vegetation which involves contacting the vegetation or its environment with an effective amount of a compound of Formula I.

  公式I的化合物及其N-氧化物和农业适用的盐已被披露，可用于控制不受欢迎的植被，其中Q和W、X、R1-R7如披露中所定义。还披露了含有公式I化合物的组合物以及一种控制不受欢迎的植被的方法，其中涉及将植被或其环境与公式I的化合物的有效量接触。