8-氯-5-硝基喹啉 | 22539-55-5

• 物质功能分类: 医药中间体 - 杂环化合物 - 喹啉类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 中文名称: 8-氯-5-硝基喹啉
• 中文别名: 5-硝基-8-氯喹啉
• 英文名称: 8‐chloro‐5‐nitroquinoline
• 英文别名: 5-Nitro-8-chloroquinoline；8-chloro-5-nitroquinoline；8-chloro-5-nitro-quinoline；8-Chlor-5-nitro-chinolin
• CAS: 22539-55-5
• 化学式: C₉H₅ClN₂O₂
• mdl: MFCD00466079
• 分子量: 208.604
• InChiKey: XSJNIKQCTPVESL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  58.7
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933499090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  | 室温 |

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 8-Chloro-5-nitroquinoline
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: 8-Chloro-5-nitroquinoline
CAS number: 22539-55-5

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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: C9H5ClN2O2
Molecular weight: 208.6

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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：

  8-氯-5-硝基喹啉 在 sodium azide 、 sodium hydride 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 (S)-1-(2-azidopropyl)-5-chloro-1H-pyrrolo[2,3-f]quinoline
  参考文献：
  名称：

  吡咯并（异）喹啉衍生物作为5-HT（2C）受体激动剂。

  摘要：

  合成了一系列的1-（1-吡咯并（异）喹啉基）-2-丙胺，并将其评价为5-HT（2C）受体激动剂，用于治疗肥胖症。描述了合成前体吲哚的一般方法。报告了5-HT（2）受体亚型化合物的功能功效和放射性配体结合数据。发现显示出最高的5-HT（2C）结合亲和力的类似物（27，1.6nM）成功减少了大鼠的食物摄入。

  DOI：

  10.1016/j.bmcl.2005.10.029
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 五氯化磷 作用下， 生成 8-氯-5-硝基喹啉
  参考文献：
  名称：

  Vis, Journal fur praktische Chemie (Leipzig 1954), 1892, vol. <2> 45, p. 540

  摘要：

  DOI：

文献信息

• The Fight against the Influenza A Virus H1N1: Synthesis, Molecular Modeling, and Biological Evaluation of Benzofurazan Derivatives as Viral RNA Polymerase Inhibitors
  作者：Mafalda Pagano、Daniele Castagnolo、Martina Bernardini、Anna Lucia Fallacara、Ilaria Laurenzana、Davide Deodato、Ulrich Kessler、Beatrice Pilger、Lilli Stergiou、Stephan Strunze、Cristina Tintori、Maurizio Botta

  DOI：10.1002/cmdc.201300378

  日期：2014.1

  The influenza RNA polymerase complex, which consists of the three subunits PA, PB1, and PB2, is a promising target for the development of new antiviral drugs. A large library of benzofurazan compounds was synthesized and assayed against influenza virus A/WSN/33 (H1N1). Most of the new derivatives were found to act by inhibiting the viral RNA polymerase complex through disruption of the complex formed

  由PA，PB1和PB2三个亚基组成的流感RNA聚合酶复合物是开发新抗病毒药物的有希望的目标。合成了庞大的苯并呋喃化合物文库，并针对流感病毒A / WSN / 33（H1N1）进行了分析。发现大多数新衍生物通过破坏亚基PA和PB1之间形成的复合物来抑制病毒RNA聚合酶复合物而发挥作用。还进行了对接研究，以阐明PA中PB1结合位点内苯并呋喃类的结合方式，并鉴定参与其作用机理的氨基酸。预测的结合姿势与生物学数据完全一致，为合理开发更有效的PA–PB1抑制剂奠定了基础。
• Synthesis and Antiproliferative Activity of Some Ellipticine-Like 11H-Pyrido[a]carbazole Derivatives
  作者：Maria Grazia Ferlin、Ornella Gia、Lisa Dalla Via

  DOI：10.1002/cmdc.201100233

  日期：2011.10.4

  Some modified 11H‐pyrido[a]carbazoles (11H‐PyC) and their corresponding tetrahydro derivatives (11H‐THPyC) were prepared. A common multistep pathway characterized by conventional reactions, including a Fischer‐indole‐type synthesis, yielded the tetracyclic compounds. To improve cytotoxicity, 11H‐PyC and 11H‐THPyC derivatives were endowed with a diethylaminoethyl side chain. The antiproliferative activity

  制备了一些改性的11 H-吡啶并[ a ]咔唑（11 H- PyC）及其相应的四氢衍生物（11 H- THPyC）。一个常见的多步途径以常规反应为特征，包括费-吲哚型合成，产生了四环化合物。为了提高细胞毒性，使用11 H ‐PyC和11 H‐THPyC衍生物具有二乙氨基乙基侧链。在三种人类肿瘤细胞系中评估了抗增殖活性，许多衍生物与它们形成与DNA的分子插入复合物并干扰DNA拓扑异构酶II的松弛活性的能力一致，显示出细胞毒性作用。相比之下，三种具有显着抗增殖功效的衍生物均未显示对拓扑异构酶II的抑制作用，因此表明这些玫瑰树碱样化合物具有独立于拓扑异构酶II活性的出乎意料的新颖作用方式。
• Pyrroloquinolines for treatment of obesity
  申请人：Vernalis Research Limited

  公开号：US06365598B1

  公开（公告）日：2002-04-02

  A chemical compound of formula (I), wherein R1 to R3 are independently selected from hydrogen and alkyl; R4 is selected from hydrogen, alkyl, alkoxy, formyl and cyano; X1 is selected from N and C—R7; X2 is selected from N and C—R8; X3 is selected from N and C—R9; X4 is selected from N and C—R10; wherein at least one of X1, X2, X3 and X4 is N; and R5 to R10 are independently selected from hydrogen, halogen, hydroxy, alkyl, aryl, alkoxy, aryloxy, alkylthio, arylthio, alkylsulfoxyl, alkylsulfonyl, arylsulfoxyl, arylsulfonyl, amino, monoalkylamino, dialkylamino, nitro, cyano, carboxaldehyde, alkylcarbonyl, arylcarbonyl, aminocarbonyl, monoalkylaminocarbonyl, dialkylaminocarbonyl, alkoxycarbonylamino, aminocarbonyloxy, monoalkylaminocarbonyloxy, dialkylaminocarbonyloxy, monoalkylaminocarbonylamino and dialkylaminocarbonylamino, and the use thereof in therapy, particularly for the treatment of disorders of the central nervous system; damage to the central nervous system; cardiovascular disorders; gastrointestinal disorders; diabetes insipidus; and sleep apnea, and particularly for the treatment of obesity.

  化学式（I）的化合物，其中R1至R3分别选自氢和烷基；R4选自氢、烷基、烷氧基、甲酰基和氰基；X1选自N和C—R7；X2选自N和C—R8；X3选自N和C—R9；X4选自N和C—R10；其中至少一个X1、X2、X3和X4是N；R5至R10分别选自氢、卤素、羟基、烷基、芳基、烷氧基、芳氧基、烷硫基、芳硫基、烷基亚氧基、烷基磺酰基、芳基亚氧基、芳基磺酰基、氨基、单烷基氨基、二烷基氨基、硝基、氰基、羰基、烷基羰基、芳基羰基、氨基羰基、单烷基氨基羰基、二烷基氨基羰基、烷氧羰基氨基、氨基羰氧基、单烷基氨基羰氧基、二烷基氨基羰氧基、单烷基氨基羰基氨基和二烷基氨基羰基氨基，以及其在治疗中的应用，特别用于治疗中枢神经系统疾病；中枢神经系统损伤；心血管疾病；消化系统疾病；尿崩症；睡眠呼吸暂停症，特别用于肥胖症的治疗。
• 一种二胺单体及其制备方法和聚酰亚胺及其 制备方法
  申请人：吉林大学

  公开号：CN109535069B

  公开（公告）日：2020-05-08

  本发明涉及有机化学技术领域，具体涉及一种二胺单体及其制备方法和一种聚酰亚胺及其制备方法。本发明提供了一种二胺单体，本发明提供的二胺单体含有一个“螺中心”(两个环共用一个原子)，具有非共平面结构，增大了分子链刚性，使得由本发明所述二胺单体制备得到的聚酰亚胺中高分子主链不能自由转动，阻碍了分子链间的有效堆积，导致聚酰亚胺内部形成连续的微孔，空穴较多，分子结构松散，因此由本发明所述二胺单体制备得到的聚酰亚胺薄膜能够在保持选择性的前提下，提高气体的渗透率和溶解性等；另外，本发明提供的二胺单体制备得到的聚酰亚胺具有较好的溶解性和透光率。
• Fourneau; Trefouel; Trefouel, Bulletin de la Societe Chimique de France, 1930, vol. <4> 47, p. 749
  作者：Fourneau、Trefouel、Trefouel、Wancolle

  DOI：——

  日期：——