2-羟基-3-硝基-4-氯吡啶 | 165547-79-5

• 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: 2-羟基-3-硝基-4-氯吡啶
• 中文别名: 4-氯-3-硝基-2-吡啶酮
• 英文名称: 4-chloro-3-nitropyridin-2-ol
• 英文别名: 4-chloro-3-nitro-1H-pyridin-2-one
• CAS: 165547-79-5
• 化学式: C₅H₃ClN₂O₃
• mdl: MFCD03093067
• 分子量: 174.543
• InChiKey: UKIZCTHOMJXNIX-UHFFFAOYSA-N

物化性质

• 熔点：
  222-224°C
• 沸点：
  283.4±40.0 °C(Predicted)
• 密度：
  1.61±0.1 g/cm3(Predicted)
• 稳定性/保质期：
  避氧化物

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  11
• 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：
  74.9
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36
• 危险类别码：
  R36/37/38
• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  保存方法：密封于阴凉、通风干燥处。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
4-Chloro-2-hydroxy-3-nitropyridine
Product Name:
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
P261: Avoid breathing dust/fume/gas/mist/vapours/spray
Wear protective gloves/protective clothing/eye protection/face protection
P280:
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P304+P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
P405: Store locked up

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Section 3. Composition/information on ingredients.
4-Chloro-2-hydroxy-3-nitropyridine
Ingredient name:
CAS number: 165547-79-5

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Section 4. First aid measures
Immediately wash skin with copious amounts of water for at least 15 minutes while removing
Skin contact:
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.
Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
Ingestion:

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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, under −20◦C.
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
Not specified
Appearance:
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C5H3ClN2O3
Molecular weight: 174.5

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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：

  2-羟基-3-硝基-4-氯吡啶 在 N,N-二异丙基乙胺 、 三氯氧磷 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 4.0h， 生成 2-chloro-N-methyl-3-nitropyridin-4-amine
  参考文献：
  名称：

  [EN] 1-SUBSTITUTED 1,2,3,4-TETRAHYDRO-1,7-NAPHTHYRIDIN-8-AMINE DERIVATIVES AND THEIR USE AS EP4 RECEPTOR ANTAGONISTS
  [FR] DÉRIVÉS SUBSTITUÉS EN 1 DE 1,2,3,4-TÉTRAHYDRO-1,7-NAPHTYRIDIN-8-AMINE ET LEUR UTILISATION COMME ANTAGONISTES DU RÉCEPTEUR EP4

  摘要：

  本发明提供了一种由式(I)表示的化合物，其中每个符号如规范中所定义，或其盐具有EP4受体拮抗作用，对于预防或治疗EP4受体相关疾病（例如类风湿关节炎、主动脉瘤（如腹主动脉瘤、胸主动脉瘤、胸腹主动脉瘤等）、子宫内膜异位症、强直性脊柱炎、炎性乳腺癌等）等方面具有用途。

  公开号：

  WO2017014323A1
• 作为产物：
  描述：

  2,4-二氯-3-硝基吡啶 在 cesium acetate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 生成 2-羟基-3-硝基-4-氯吡啶
  参考文献：
  名称：

  [EN] INHIBITORS OF HIF PROLYL HYDROXYLASE
  [FR] INHIBITEURS DE LA HIF PROLYL-HYDROXYLASE

  摘要：

  本发明涉及式I的化合物或其药用盐，其抑制HIF脯氨酸羟化酶，用于增强内源性促红细胞生成素的产生，并用于治疗与内源性促红细胞生成素减少相关的疾病，如贫血和类似疾病，以及包含该化合物和药用载体的药物组合物。

  公开号：

  WO2016049099A1

文献信息

• [EN] 3-SUBSTITUTED 2-AMINO-INDOLE DERIVATIVES<br/>[FR] DÉRIVÉS DE 2-AMINO-INDOLE 3-SUBSTITUÉS
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2015198045A1

  公开（公告）日：2015-12-30

  The present invention provides compounds of formula (I) (Formula (I)) and pharmaceutically acceptable salts thereof, wherein Q, X% X4,X5 X6, X7,R1, R2, R3 and R8 are as defined in the specification, processes for the preparation of such compounds, pharmaceutical compositions containing them and the use of such compounds in therapy.

  本发明提供了公式(I)（公式(I)）的化合物及其药用可接受的盐，其中Q，X，X4，X5，X6，X7，R1，R2，R3和R8如说明书中所定义，这些化合物的制备方法，包含它们的药物组合物以及这些化合物在治疗中的用途。
• HETEROCYCLIC DERIVATIVES
  申请人：Ahn Sung Oh

  公开号：US20110028467A1

  公开（公告）日：2011-02-03

  The present invention relates to heterocyclic derivatives, and more particularly, to novel heterocyclic derivatives useful for the preparation of medicaments for treating diseases related to uric acid.

  本发明涉及杂环衍生物，更具体地，涉及用于制备治疗与尿酸相关疾病的药物的新颖杂环衍生物。
• [EN] COMPOUNDS AND COMPOSITIONS AS TLR-7 ACTIVITY MODULATORS<br/>[FR] COMPOSÉS ET COMPOSITIONS PERMETTANT DE MODULER L'ACTIVITÉ DES TLR-7
  申请人：IRM LLC

  公开号：WO2011057148A1

  公开（公告）日：2011-05-12

  The invention provides compounds, immunogenic compositions and pharmaceutical compositions comprising such compounds and methods of using such compounds to treat or prevent diseases or disorders associated with Toll-Like Receptors 7. In one aspect, the compounds are useful as adjuvants for enhancing the effectiveness of a vaccine.

  这项发明提供了包含这些化合物的免疫原组合物和药物组合物，以及使用这些化合物治疗或预防与Toll样受体7相关的疾病或紊乱的方法。在一个方面，这些化合物可用作增强疫苗效果的佐剂。
• NOVEL PHARMACEUTICALS
  申请人：Jones Peter

  公开号：US20070197478A1

  公开（公告）日：2007-08-23

  The present invention relates to immune response modifiers of formula (I), which act selectively through agonism, of Toll-Like Receptors (TLRs), uses thereof, processes for the preparation thereof, intermediates used in the preparation thereof and compositions containing said inhibitors. These inhibitors have utility in a variety of therapeutic areas including the treatment of infectious disease such as Hepatitis (e.g. HCV, HBV), genetically related viral infection and cancer.

  本发明涉及公式（I）的免疫应答调节剂，通过对Toll样受体（TLRs）的激动作用具有选择性，其用途，其制备方法，用于其制备的中间体以及含有所述抑制剂的组合物。这些抑制剂在包括治疗传染病（如肝炎（例如HCV，HBV），遗传相关病毒感染和癌症在内的各种治疗领域中具有用途。
• Thrombin inhibitors
  申请人：Merck & Co., Inc.

  公开号：US06117888A1

  公开（公告）日：2000-09-12

  Compounds of the invention are useful in inhibiting thrombin and associated thrombotic occlusions having the following structure:

  本发明的化合物在抑制凝血酶和相关血栓闭塞方面具有以下结构。

表征谱图