2-硝基-5-氯苯酚 | 611-07-4

• 物质功能分类: 化学试剂 - 有机试剂
• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 2-硝基-5-氯苯酚
• 中文别名: 5-氯-2-硝基苯酚
• 英文名称: 5-chloro-2-nitrophenol
• 英文别名: 2-nitro-5-chlorophenol；2-hydroxy-4-chloronitrobenzene
• CAS: 611-07-4
• 化学式: C₆H₄ClNO₃
• mdl: MFCD09260849
• 分子量: 173.556
• InChiKey: MZDBQSFPAMTTIS-UHFFFAOYSA-N

物化性质

• 熔点：
  41°C
• 沸点：
  247.6±20.0 °C(Predicted)
• 密度：
  1.4914 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 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：
  3

安全信息

• 危险等级：
  IRRITANT
• 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
• 储存条件：
  室温环境下。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 5-Chloro-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-2-nitrophenol
CAS number: 611-07-4

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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: C6H4ClNO3
Molecular weight: 173.6

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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.

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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-硝基-5-氯苯酚 在 盐酸 、 tin 、 potassium carbonate 、 xylene 作用下， 生成 4-氯-2-甲氧基苯胺
  参考文献：
  名称：

  Hodgson; Handley, Journal of the Chemical Society, 1926, p. 543

  摘要：

  DOI：
• 作为产物：
  描述：

  对硝基间苯二胺 在 盐酸 、 氢氧化钾 作用下， 生成 2-硝基-5-氯苯酚
  参考文献：
  名称：

  CCXLIX.—对氨基苯酚的砷酸

  摘要：

  DOI：

  10.1039/jr9300001910
• 作为试剂：
  描述：

  2,4-二氯硝基苯 、 二甲基亚砜 、 sodium hydroxide 在 钠 、 2-硝基-5-氯苯酚 、 水 、 盐酸 作用下， 以 水 为溶剂， 反应 23.0h， 以yielding 5-chloro-2-nitrophenol as an oil which的产率得到2-硝基-5-氯苯酚
  参考文献：
  名称：

  Process for preparing 5-chloro-2-nitrophenol

  摘要：

  在无极性极性溶剂存在下，使用过量的碱金属氢氧化物，从2,4-二氯硝基苯制备5-氯-2-硝基苯酚的过程在20℃到150℃进行。

  公开号：

  US04310711A1

文献信息

• Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds
  申请人：Abbott Laboratories

  公开号：US20040116518A1

  公开（公告）日：2004-06-17

  The present invention relates to novel cinnamide compounds that are useful for treating inflammatory and immune diseases and cerebral vasospasm, to pharmaceutical compositions containing these compounds, and to methods of inhibiting inflammation or suppressing immune response in a mammal.

  本发明涉及新型肉桂酰胺化合物，用于治疗炎症和免疫性疾病以及脑血管痉挛，以及含有这些化合物的药物组合物，以及在哺乳动物中抑制炎症或抑制免疫反应的方法。
• [EN] SULFOXIMINE SUBSTITUTED QUINAZOLINES FOR PHARMACEUTICAL COMPOSITIONS<br/>[FR] QUINAZOLINES SUBSTITUÉES PAR UNE SULFOXIMINE DESTINÉES À DES COMPOSITIONS PHARMACEUTIQUES
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2015169677A1

  公开（公告）日：2015-11-12

  The application relates to novel sulfoximine substituted quinazoline derivatives of formula (I) wherein Ar, R1, R2 and R3 are as defined in the description and claims, and their use as MNK1 (MNK1a or MNK1b) and/or MNK2 (MNK2a or MNK2b) kinase inhibitors, pharmaceutical compositions containing the same, and methods of using the same as agents for treatment or amelioration of MNK1 (MNK1a or MNK1b) and/or MNK2 (MNK2a or MNK2b) mediated disorders.

  该申请涉及式(I)的新型磺酰胺取代喹唑啉衍生物，其中Ar、R1、R2和R3如描述和声明中所定义，并且它们作为MNK1（MNK1a或MNK1b）和/或MNK2（MNK2a或MNK2b）激酶抑制剂的用途，含有相同化合物的药物组合物，以及将其用作治疗或改善MNK1（MNK1a或MNK1b）和/或MNK2（MNK2a或MNK2b）介导的疾病的药剂的方法。
• An efficient approach to 3-thioether-functionalized 2,3-dihydrobenzofurans via a metal-free intramolecular radical cyclization/thiolation cascade reaction
  作者：Tingting Chen、Renhua Zheng、Jingmiao Yu

  DOI：10.1080/00397911.2021.1927098

  日期：2021.7.18

  Abstract A diverse series of 3-thioether-functionalized 2,3-dihydrobenzofurans were prepared by an intramolecular radical cyclization/thiolation cascade reaction of alkenyl-tethered arenediazonium salts with thiophenols under transition-metal-free conditions. The mild and practical reaction conditions tolerated various functional groups and afforded the corresponding 2,3-dihydrobenzofurans in moderate

  摘要 在无过渡金属条件下，通过链烯基连接的芳烃重氮盐与苯硫酚的分子内自由基环化/硫醇化级联反应制备了一系列不同的 3-硫醚官能化 2,3-二氢苯并呋喃。温和且实用的反应条件可耐受各种官能团，并以中等至良好的产率提供相应的 2,3-二氢苯并呋喃。
• Pd-Catalyzed Enantioselective Double Heck Reaction
  作者：Baihang Ju、Shigui Chen、Wangqing Kong

  DOI：10.1021/acs.orglett.9b03517

  日期：2019.12.6

  An asymmetric Pd-catalyzed intramolecular followed by an intermolecular double Heck reaction of arenediazonium salts with simple alkenes is disclosed. This reaction features mild reaction conditions, simple operation, and excellent functional group tolerance and provides a rapid access to functionalized dihydrobenzofurans bearing all-carbon quaternary centers in good regioselectivity (>95/5) and enantioselectivity

  公开了不对称的Pd催化的分子内，然后是芳构氮鎓盐与简单烯烃的分子间双Heck反应。该反应具有温和的反应条件，简单的操作和出色的官能团耐受性，可快速进入带有全碳季中心的官能化二氢苯并呋喃，具有良好的区域选择性（> 95/5）和对映选择性（90-99％ee）。
• A Facile and Convenient Method for the Synthesis of Nitro Phenols and Chloropyridinols
  作者：B. China Raju、Parvathi Neelakantan、U. T. Bhalerao

  DOI：10.1081/scc-200026626

  日期：2004.1.1

  An efficient, simple, and practical method of preparation of nitro phenols and chloropyridinols has been reported by the active chlorine displacement of chloro nitro benzenes and poly chloro pyridines in the presence of alkali metal hydroxide in low polarity solvent with very good yields.

  报道了一种高效、简单、实用的制备硝基苯酚和氯吡啶醇的方法，在碱金属氢氧化物存在下，在低极性溶剂中，氯代硝基苯和多氯吡啶的活性氯置换，收率非常好。

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