2-羟基-5-硝基嘧啶 | 3264-10-6

• 物质功能分类: 医药中间体 - 杂环化合物 - 嘧啶类化合物
• 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: 2-羟基-5-硝基嘧啶
• 中文别名: 5-硝基-2-羟基嘧啶
• 英文名称: 2-hydroxy-5-nitropyrimidine
• 英文别名: 5-nitropyrimidin-2-ol；2-Hydroxy-5-nitro-pyrimidin
• CAS: 3264-10-6
• 化学式: C₄H₃N₃O₃
• mdl: MFCD07779237
• 分子量: 141.086
• InChiKey: ZNNRVSOVVLYQBV-UHFFFAOYSA-N

物化性质

• 熔点：
  203.5 °C
• 密度：
  1.75±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  87.3
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933599090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 5-Nitropyrimidin-2-ol
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-Nitropyrimidin-2-ol
CAS number: 3264-10-6

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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, refrigerated.
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: C4H3N3O3
Molecular weight: 141.1

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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-羟基-5-硝基嘧啶 在 三氯氧磷 作用下， 以 乙酸乙酯 为溶剂， 生成 5-氨基-2-氯嘧啶
  参考文献：
  名称：

  Pyrimidines as novel openers of potassium ion channels

  摘要：

  本发明提供了一类嘧啶酰胺，可用作钾离子通道的开启剂。该发明的化合物在治疗和诊断方法中均有用途。

  公开号：

  US20030181465A1
• 作为产物：
  描述：

  2-羟基嘧啶盐酸盐 以 硫酸 为溶剂， 生成 2-羟基-5-硝基嘧啶
  参考文献：
  名称：

  Pyrimidines as novel openers of potassium ion channels

  摘要：

  本发明提供了一类嘧啶酰胺，可用作钾离子通道的开启剂。该发明的化合物在治疗和诊断方法中均有用途。

  公开号：

  US20030181465A1

文献信息

• [EN] PYRAZOLOPYRIMIDINE AS MALT-1 INHIBITORS<br/>[FR] PYRAZOLOPYRIMIDINE UTILISÉS EN TANT QU'INHIBITEURS DE MALT-1
  申请人：MEDIVIR AB

  公开号：WO2018226150A1

  公开（公告）日：2018-12-13

  The invention provides a compound of formula (I): herein R1, R2 and R3 of series (x), (y) and (z) are as defined in the specification which are potent inhibitors of the enzyme MALT1 and are useful in an immunooncology approach to the treatment of cancer, especially bladder cancer, colon cancer, hepatocellular cancer or small cell or non-small cell lung cancer.

  该发明提供了一种化合物，其化学式为（I）：在此，系列（x）、（y）和（z）中的R1、R2和R3如规范中定义，它们是MALT1酶的有效抑制剂，并且在免疫肿瘤学方法中对癌症的治疗中特别适用，尤其是膀胱癌、结肠癌、肝细胞癌或小细胞或非小细胞肺癌。
• Hurst, Derek T., Heterocycles, 1984, vol. 22, # 1, p. 79 - 84
  作者：Hurst, Derek T.

  DOI：——

  日期：——
• Studies in Chemotherapy. IV. Sulfanilamidopyrimidines¹
  作者：Richard O. Roblin、Philip S. Winnek、Jackson P. English

  DOI：10.1021/ja01255a030

  日期：1942.3
• Hale; Brill, Journal of the American Chemical Society, 1912, vol. 34, p. 91
  作者：Hale、Brill

  DOI：——

  日期：——
• Pyrimidines. 18. A novel pyrimidine to benzene ring transformation reaction. Conversion of 5-nitro-2(1H)-pyrimidinone into p-nitrophenol derivatives
  作者：Jack J. Fox、Tsann Long Su、Lloyd M. Stempel、Kyoichi Watanabe

  DOI：10.1021/jo00345a037

  日期：1982.3