5-氯-4-氟-2-硝基苯酚 | 65001-79-8

• 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 - 酚类
• 中文名称: 5-氯-4-氟-2-硝基苯酚
• 英文名称: 5-chloro-4-fluoro-2-nitrophenol
• CAS: 65001-79-8
• 化学式: C₆H₃ClFNO₃
• 分子量: 191.546
• InChiKey: QQVVAVSPGWOFKT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 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：
  66
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2908999090
• 包装等级：
  III
• 危险类别：
  9
• 危险性防范说明：
  P261,P264,P270,P272,P273,P280,P301+P312+P330,P302+P352,P305+P351+P338+P310,P333+P313,P391,P501
• 危险品运输编号：
  3077
• 危险性描述：
  H302,H315,H317,H318,H410

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 5-Chloro-4-fluoro-2-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: 5-Chloro-4-fluoro-2-nitrophenol
CAS number: 65001-79-8

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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.
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: C6H3ClFNO3
Molecular weight: 191.5

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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 chloride, 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：

  5-氯-4-氟-2-硝基苯酚 在 palladium 10% on activated carbon 、 氢气 、 potassium carbonate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 25.0~90.0 ℃ 、103.42 kPa 条件下， 反应 28.0h， 生成 tert-butyl 2-[1-(4-amino-2-fluoro-5-methoxy-phenyl)-4-hydroxy-4-piperidyl]acetate
  参考文献：
  名称：

  [EN] COMPOUNDS FOR TARGETED DEGRADATION OF RET
  [FR] COMPOSÉS POUR LA DÉGRADATION CIBLÉE DE RET

  摘要：

  新型化合物，可作为蛋白质降解诱导因子，作用于原癌基因酪氨酸蛋白激酶受体（RET），该受体可能是野生型RET或突变型RET。

  公开号：

  WO2022032026A1
• 作为产物：
  描述：

  3-氯-4-氟苯酚 在 硝酸 作用下， 以 溶剂黄146 为溶剂， 反应 1.0h， 以60%的产率得到5-氯-4-氟-2-硝基苯酚
  参考文献：
  名称：

  5-氟-2-甲基-6-（4-芳基-哌嗪-1-基）苯并恶唑的设计，合成和细胞毒性。

  摘要：

  为了设计适合作为抗癌药物开发起点的新化合物，我们合成了一系列新的苯并恶唑类化合物，它们具有可药用的哌嗪和氟部分。评估了新合成的苯并恶唑及其相应的前体对人A-549肺癌细胞和非癌HepaRG肝细胞的细胞毒性。这些新的苯并恶唑中的一些显示出潜在的抗癌活性，而其中的两种中间体在健康细胞不受影响的低浓度下显示出肺癌的选择性特性，表明了抗癌化合物的选择性窗口。

  DOI：

  10.3390/molecules21101290

文献信息

• Tetracyclic azepinoindole compounds
  申请人：PHARMACIA & UPJOHN COMPANY

  公开号：US20020198190A1

  公开（公告）日：2002-12-26

  The present invention provides compounds of formula I: 1 wherein R 1 , R 2 , X and Y have any of the values defined in the specification, as well as pharmaceutical compositions comprising the compounds. The invention also provides therapeutic methods as well as processes and intermediates useful for preparing compounds of formula (I).

  本发明提供了公式I的化合物：1其中R1、R2、X和Y的任何值均在规范中定义，以及包含该化合物的药物组合物。该发明还提供了治疗方法，以及用于制备公式（I）化合物的过程和中间体。
• [EN] 7-NITRO-8-HYDROXYQUINOLINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF<br/>[FR] DÉRIVÉ DE 7-NITRO-8-HYDROXYQUINOLÉINE, SON PROCÉDÉ DE PRÉPARATION ET UTILISATION MÉDICALE ASSOCIÉE<br/>[ZH] 7-硝基-8-羟基喹啉衍生物、其制备方法及其医药用途
  申请人：JIANGSU YAHONG MEDITECH CO LTD

  公开号：WO2022253152A1

  公开（公告）日：2022-12-08

  一种7-硝基-8-羟基喹啉衍生物、其制备方法及其医药用途。具体地，通式(I)所示的化合物、其制备方法、含有其的药物组合物，以及其在治疗感染性疾病或癌症中的用途。所述化合物具有优异的抗菌和抗肿瘤活性，可以被开发为治疗感染性疾病或肿瘤的药物。
• TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS
  申请人：PHARMACIA & UPJOHN COMPANY

  公开号：EP1173440B1

  公开（公告）日：2004-09-15
• US6407092B1
  申请人：——

  公开号：US6407092B1

  公开（公告）日：2002-06-18
• US6875762B2
  申请人：——

  公开号：US6875762B2

  公开（公告）日：2005-04-05