2,3-二甲氧基-6-硝基吡啶 | 79491-44-4

• 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: 2,3-二甲氧基-6-硝基吡啶
• 英文名称: 2,3-Dimethoxy-6-nitropyridin
• 英文别名: 2,3-dimethoxy-6-nitropyridine
• CAS: 79491-44-4
• 化学式: C₇H₈N₂O₄
• mdl: MFCD11044329
• 分子量: 184.152
• InChiKey: QDBVUQQJSXYDHF-UHFFFAOYSA-N

物化性质

• 熔点：
  117-119 °C(Solv: methanol (67-56-1); water (7732-18-5))
• 沸点：
  326.4±37.0 °C(Predicted)
• 密度：
  1.292±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.285
• 拓扑面积：
  77.2
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2933399090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2,3-Dimethoxy-6-nitropyridine
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: 2,3-Dimethoxy-6-nitropyridine
CAS number: 79491-44-4

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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: C7H8N2O4
Molecular weight: 184.1

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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
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：

  2,3-二甲氧基-6-硝基吡啶 在 钯 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 3.0h， 生成 2-氨基-5,6-二甲氧基吡啶
  参考文献：
  名称：

  Pyrazoles Useful in the Treatment of Inflammation

  摘要：

  提供了公式（I）的化合物，其中R1、R2、X1、X2和n在说明中给出其含义，以及其药学上可接受的盐。这些化合物在治疗需要抑制脂氧合酶（例如15-脂氧合酶）活性的疾病，特别是在治疗炎症方面非常有用。

  公开号：

  US20090143440A1
• 作为产物：
  描述：

  2-Iod-3-methoxy-6-nitropyridin-1-oxid 在 sodium methylate 、 三氯化磷 作用下， 以 氯仿 为溶剂， 反应 1.0h， 生成 2,3-二甲氧基-6-硝基吡啶
  参考文献：
  名称：

  Dehmlow, Eckehard V.; Schulz, Hans-Joachim, Journal of Chemical Research, Miniprint, 1987, # 11, p. 2951 - 2973

  摘要：

  DOI：

文献信息

• Triazole Compounds as Lipoxygenase Inhibitors
  申请人：Pelcman Benjamin

  公开号：US20090186918A1

  公开（公告）日：2009-07-23

  There is provided compounds of formula (I) wherein W is an optionally substituted aryl or heteroaryl group, and pharmaceutically-acceptable salts thereof, which compounds are useful in the treatment of diseases in which inhibition of the activity of a lipoxygenase (e.g. 15-lipoxygenase) is desired and/or required, and particularly in the treatment of inflammation.

  提供了化合物的公式(I)，其中W是可选取代的芳基或杂环芳基基团，以及其药学上可接受的盐。这些化合物在治疗需要抑制脂氧合酶(例如15-脂氧合酶)活性的疾病中非常有用，特别是在治疗炎症方面。
• WO2007/51981
  申请人：——

  公开号：——

  公开（公告）日：——
• WO2007/51982
  申请人：——

  公开号：——

  公开（公告）日：——
• Clark, Gary J.; Deady, Leslie W., Australian Journal of Chemistry, 1981, vol. 34, # 4, p. 927 - 932
  作者：Clark, Gary J.、Deady, Leslie W.

  DOI：——

  日期：——
• CLARK, G. J.;DEADY, L. W., AUSTRAL. J. CHEM., 1981, 34, N 4, 927-932
  作者：CLARK, G. J.、DEADY, L. W.

  DOI：——

  日期：——