3-甲基-5-硝基砒啶 | 6960-20-9

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡啶类化合物
• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 中文名称: 3-甲基-5-硝基砒啶
• 中文别名: 3-甲基-5-硝基吡啶；5-硝基-3-甲基吡啶
• 英文名称: 3-methyl-5-nitropyridine
• 英文别名: 3-nitro-5-methylpyridine；5-Methyl-3-nitropyridine；3-methyl-5-nitro-pyridine；3-Methyl-5-nitro-pyridin
• CAS: 6960-20-9
• 化学式: C₆H₆N₂O₂
• mdl: MFCD04114214
• 分子量: 138.126
• InChiKey: OQWXZZCTJZOSGH-UHFFFAOYSA-N

物化性质

• 熔点：
  93
• 沸点：
  248.0±20.0 °C(Predicted)
• 密度：
  1.246±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  58.7
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险等级：
  6.1
• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37,S39
• 危险类别码：
  R22,R41,R43,R52
• WGK Germany：
  3
• 海关编码：
  2933399090
• 危险标志：
  GHS05,GHS07
• 危险性描述：
  H302,H317,H318
• 危险性防范说明：
  P280,P305 + P351 + P338
• 储存条件：
  请保持冷静。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Methyl-5-nitropyridine
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H302: Harmful if swallowed
H317: May cause an allergic skin reaction
H318: Causes serious eye damage
P280: Wear protective gloves/protective clothing/eye protection/face protection
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing

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Section 3. Composition/information on ingredients.
Ingredient name: 3-Methyl-5-nitropyridine
CAS number: 6960-20-9

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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.
Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
Eye contact:
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.
Storage: Store in closed vessels.

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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
No data
Boiling point:
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C6H6N2O2
Molecular weight: 138.1

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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.

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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
UN Number: UN2811 Class: 6.1 Packing group: III
Proper shipping name: TOXIC SOLIDS, ORGANIC, N.O.S. (3-Methyl-5-nitropyridine)

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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-甲基-5-硝基砒啶 在 4-氨基-1,2,4-三氮唑 、 potassium tert-butylate 作用下， 以 二甲基亚砜 为溶剂， 反应 5.0h， 以59%的产率得到2-氨基-3-甲基-5-硝基吡啶
  参考文献：
  名称：

  Selective vicarious nucleophilic amination of 3-nitropyridines

  摘要：

  通过代亲核取代反应，九种 3-硝基吡啶化合物和 4-硝基异喹啉在 6 位（4-硝基异喹啉在 1 位）被胺化。使用了两种胺化试剂：羟胺和 4-氨基-1,2,4-三唑。产率从中等到良好不等。使用羟胺可以直接获得几乎纯净的产品，而 4-氨基-1,2,4-三唑则可以为某些底物提供更好的胺化产品收率。由此，我们获得了一种制备 3-或 4-取代的 2-氨基-5-硝基吡啶的通用方法。

  DOI：

  10.1039/b008660f
• 作为产物：
  描述：

  3-甲基吡啶 在 硝酸 、 三氟乙酸酐 、 sodium disulfite 作用下， 反应 34.0h， 以62%的产率得到3-甲基-5-硝基砒啶
  参考文献：
  名称：

  通过用硝酸硝化吡啶来制备硝基吡啶。

  摘要：

  在三氟乙酸酐中用硝酸硝化吡啶1a-o，得到相应的3-硝基吡啶6a-n，产率为10-83％。

  DOI：

  10.1039/b413285h

文献信息

• Nucleophilic Reaction upon Electron-Deficient Pyridone Derivatives. X.One-Pot Synthesis of 3-Nitropyridines by Ring Transformation of 1-Methyl-3,5-dinitro-2-pyridone with Ketones or Aldehydes in the Presence of Ammonia
  作者：Yasuo Tohda、Miyuki Eiraku、Takao Nakagawa、Yumi Usami、Masahiro Ariga、Toshihide Kawashima、Keita Tani、Hiroko Watanabe、Yutaka Mori

  DOI：10.1246/bcsj.63.2820

  日期：1990.10

  The reaction of 1-methyl-3,5-dinitro-2-pyridone (1a) with ketones or aldehydes in the presence of ammonia gave alkyl- and/or aryl-substituted 3-nitropyridines (6) in moderate to high yields. Enamines derived from the ketones gave better results than did the ketones themselves; on the other hand, those derived from the aldehydes gave no 6 at all. On the basis of deuterium-labeled experiments, a mechanism comprising competitive ring transformations of 1a is proposed.

  在氨存在下，1-甲基-3,5-二硝基-2-吡啶酮（1a）与酮或醛反应，以中等至高产率得到烷基和/或芳基取代的3-硝基吡啶（6）。由酮衍生的烯胺比酮本身得到的结果更好；另一方面，由醛衍生的烯胺完全没有得到6。基于氘标记实验，提出了一个涉及1a竞争性环转换的机理。
• BICYCLIC ENAMINO(THIO)CARBONYL COMPOUNDS
  申请人：Jeschke Peter

  公开号：US20090181947A1

  公开（公告）日：2009-07-16

  The present invention relates to novel bicyclic enamino(thio)carbonyl compounds, to processes for their preparation and to their use for controlling animal pests, especially arthropods, in particular insects.

  本发明涉及新颖的双环烯胺基(硫)酰基化合物，以及其制备方法和用于控制动物害虫，特别是节肢动物，尤其是昆虫的用途。
• SUBSTITUTED ENAMINOCARBONYL COMPOUNDS USED AS INSECTICIDES
  申请人：Jeschke Peter

  公开号：US20100240705A1

  公开（公告）日：2010-09-23

  The present application relates to novel substituted enaminocarbonyl compounds, to processes for their preparation and to their use for controlling animal pests, especially arthropods, in particular insects.

  本申请涉及新型取代烯胺羰基化合物，其制备方法以及用于控制动物害虫，特别是节肢动物，尤其是昆虫的用途。
• SUBSTITUTED ENAMINOCARBONYL COMPOUNDS
  申请人：Jeschke Peter

  公开号：US20090247551A1

  公开（公告）日：2009-10-01

  The present invention relates to novel substituted enaminocarbonyl compounds, to processes for their preparation and to their use for controlling animal pests, especially arthropods, in particular insects.

  本发明涉及新型取代烯胺羰基化合物，以及其制备方法和在控制动物害虫，特别是节肢动物，尤其是昆虫中的应用。
• N'-Cyano-N-Halogenalkylimidamide Derivatives
  申请人：Jeschke Peter

  公开号：US20100048646A1

  公开（公告）日：2010-02-25

  The present application relates to novel substituted N′-cyano-N-halogenalkylimidamide derivatives, to processes for their preparation and to their use for controlling animal pests, especially arthropods, in particular insects.

  本申请涉及新型取代N'-氰基-N-卤代烷基咪唑酰胺衍生物，以及其制备方法和用于控制动物害虫，特别是节肢动物，尤其是昆虫的用途。