5-硝基-6-甲基氨基喹啉 | 14204-97-8

• 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: 5-硝基-6-甲基氨基喹啉
• 英文名称: 6-(methylamino)-5-nitroquinoline
• 英文别名: 5-nitro-6-methylaminoquinoline；6-methylamino-5-nitroquinoline；methyl-(5-nitro-quinolin-6-yl)-amine；n-Methyl-5-nitroquinolin-6-amine
• CAS: 14204-97-8
• 化学式: C₁₀H₉N₃O₂
• 分子量: 203.2
• InChiKey: FKTDYZCHWXTGMA-UHFFFAOYSA-N

物化性质

• 熔点：
  188-190°C; 130°C soft.
• 沸点：
  392.2±32.0 °C(Predicted)
• 密度：
  1.372±0.06 g/cm3(Predicted)
• 溶解度：
  溶于氯仿、乙醇、乙酸乙酯、甲醇。

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  70.7
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2933499090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: N-Methyl-5-nitroquinolin-6-amine
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: N-Methyl-5-nitroquinolin-6-amine
CAS number: 14204-97-8

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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: C10H9N3O2
Molecular weight: 203.2

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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.

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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-硝基-6-甲基氨基喹啉 在 吡啶 、 间氯过氧苯甲酸 作用下， 以 氯仿 为溶剂， 反应 38.0h， 生成
  参考文献：
  名称：

  Bashir, Mohammad; Kingston, David G. I.; Carman, Robert J., Heterocycles, 1987, vol. 26, # 11, p. 2877 - 2886

  摘要：

  DOI：
• 作为产物：
  描述：

  N-(quinolin-6-yl)formamide 在 lithium aluminium tetrahydride 、 硫酸 、 硝酸 作用下， 以 四氢呋喃 为溶剂， 反应 0.17h， 生成 5-硝基-6-甲基氨基喹啉
  参考文献：
  名称：

  Synthesis of mutagenic heteroaromatics: 2-Aminoimidazo(4,5-f)quinolines.

  摘要：

  合成了两种强效的诱变剂，2-氨基-3-甲基咪唑[4, 5-f]喹啉和2-氨基-3, 4-二甲基咪唑[4, 5-f]喹啉。

  DOI：

  10.1248/cpb.30.1857

文献信息

• HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF
  申请人：CAMPBELL John Emmerson

  公开号：US20120178748A1

  公开（公告）日：2012-07-12

  Provided herein are heteroaryl compounds, methods of their synthesis, pharmaceutical compositions comprising the compounds, and methods of their use. In one embodiment, the compounds provided herein are useful for the treatment, prevention, and/or management of various disorders, such as CNS disorders and metabolic disorders, including, but not limited to, e.g., neurological disorders, psychosis, schizophrenia, obesity, and diabetes.

  本文提供了杂环芳基化合物，其合成方法，包含这些化合物的药物组合物，以及它们的使用方法。在一个实施例中，本文提供的化合物可用于治疗、预防和/或管理各种疾病，如中枢神经系统疾病和代谢性疾病，包括但不限于神经系统疾病、精神病、精神分裂症、肥胖症和糖尿病。
• Identification of a reactive metabolite of the mutagen, 2-amino-3-methylimidazolo(4,5-f)quinoline.
  作者：TOSHIHIKO OKAMOTO、KOICHI SHUDO、YUICHI HASHIMOTO、TAKUO KOSUGE、TAKASHI SUGIMURA、SUSUMU NISHIMURA

  DOI：10.1248/cpb.29.590

  日期：——

  A reactive major metabolite of the mutagen, 2-amino-3-methylimidazolo [4, 5-f]-quinoline (IQ), by rat liver microsomes was 2-hydroxyamino-3-methylimidazolo [4, 5-f]-quinoline (N-OH-IQ). The synthesis and reaction with DNA of N-OH-IQ were discussed.

  一种反应性主要代谢物，亚硝基化合物2-氨基-3-甲基咪唑并[4, 5-f]喹啉（IQ），由大鼠肝微粒体生成，称为2-羟基氨基-3-甲基咪唑并[4, 5-f]喹啉（N-OH-IQ）。本文讨论了N-OH-IQ的合成及其与DNA的反应。
• Wozniak, Marian; Grzegozek, Maria, Liebigs Annalen der Chemie, 1993, # 8, p. 823 - 830
  作者：Wozniak, Marian、Grzegozek, Maria

  DOI：——

  日期：——
• Ronne, Erik; Grivas, Spiros; Olsson, Kjell, Acta Chemica Scandinavica, 1994, vol. 48, # 10, p. 823 - 830
  作者：Ronne, Erik、Grivas, Spiros、Olsson, Kjell

  DOI：——

  日期：——
• Ronne Erik, Grivas Spiros, Olsson Kjell, Acta Chem. Scand, 48 (1994) N 10, S 823-830
  作者：Ronne Erik, Grivas Spiros, Olsson Kjell

  DOI：——

  日期：——