6-氯-5-硝基喹啉 | 86984-32-9

• 物质功能分类: 医药中间体 - 喹啉类化合物
• 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: 6-氯-5-硝基喹啉
• 中文别名: 5-硝基-6-氯喹啉
• 英文名称: 6‐chloro‐5‐nitroquinoline
• 英文别名: 5-nitro-6-chloroquinoline；6-chloro-5-nitroquinoline；6-chloro-5-nitro-quinoline；6-Chlor-5-nitro-chinolin；5-nitro-6-chloro-quinoline；5-Nitro-6-chlor-chinolin
• CAS: 86984-32-9
• 化学式: C₉H₅ClN₂O₂
• mdl: MFCD00093616
• 分子量: 208.604
• InChiKey: GIMHFTJFCRTQRS-UHFFFAOYSA-N

物化性质

• 沸点：
  356.7±27.0 °C(Predicted)
• 密度：
  1.484±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  58.7
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933499090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 6-Chloro-5-nitroquinoline
Synonyms:

---

Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

---

Section 3. Composition/information on ingredients.
Ingredient name: 6-Chloro-5-nitroquinoline
CAS number: 86984-32-9

---

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.

---

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.

---

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.

---

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:

---

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.

---

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: C9H5ClN2O2
Molecular weight: 208.6

---

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.

---

Section 11. Toxicological information
No data.

---

Section 12. Ecological information
No data.

---

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.

---

Section 14. Transportation information
Non-harzardous for air and ground transportation.

---

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.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  6-氯-5-硝基喹啉 在 氢气 作用下， 以 乙醇 为溶剂， 120.0 ℃ 、2.0 MPa 条件下， 反应 3.0h， 生成 5-氨基-6-氯喹啉
  参考文献：
  名称：

  用于卤代硝基芳烃选择性加氢的高效且可回收的双金属 Co-Cu 催化剂

  摘要：

  通过一步浸渍 Co(NO 3 ) 2 ·6H 2 O、Cu(NO 3 ) 2 ·制备二氧化硅负载的 N 掺杂碳层，包覆 Co-Cu 纳米颗粒 (Co 1 Cu x @CN/SiO 2 ) 3H 2 O、尿素和葡萄糖，在原位碳热还原之后。研究了Cu含量对Co 1 Cu x @CN/SiO 2催化剂催化对氯硝基苯选择性加氢制备对氯苯胺的催化性能的影响。Co 1 Cu 0.30 @CN/SiO2 0.30的Cu / Co的摩尔比：1中呈现高得多的活性和稳定性比单金属钴@ CN /二氧化硅2催化剂。在 Co 1 Cu x @CN/SiO 2催化剂中加入 Cu对高活性 Co-N 位点和 N 掺杂碳层的形成有有利的影响。N掺杂碳层的作用是保护Co免受空气氧化，Co 1 Cu 0.30 @CN/SiO 2可以重复使用至少 12 个循环而不会降低催化效率。机理和原位红外研究表明，Co 和 Cu 原子之间的相互作用使

  DOI：

  10.1016/j.jallcom.2021.163143
• 作为产物：
  描述：

  6-氯喹啉 在 硫酸 、 硝酸 作用下， 以88%的产率得到6-氯-5-硝基喹啉
  参考文献：
  名称：

  一种用于设计强效、高选择性和脑渗透性 N-肉豆蔻酰基转移酶抑制剂的分子杂交方法。

  摘要：

  晶体学已经指导了两个系列的布氏锥虫 N-肉豆蔻酰转移酶 (NMT) 抑制剂的杂交，从而产生了一个新的高选择性系列。结合来自两种药效团的选择性增强元素的效果被证明是相加的，并导致化合物对 TbNMT 与 HsNMT 的选择性超过 1000 倍。混合系列的进一步优化已经确定了具有显着杀锥虫活性的化合物，能够穿过血脑屏障。通过使用 CF-1 mdr1a 缺陷小鼠，我们能够在 2 期非洲昏睡病小鼠模型中证明体内完全治愈。这项工作和以前的工作为 NMT 作为人类非洲锥虫病在外周和中枢神经系统疾病阶段的药物靶点提供了非常有力的验证。

  DOI：

  10.1021/acs.jmedchem.8b00884
• 作为试剂：
  描述：

  硝酸 、 6-氯喹啉 在 ice 、 6-氯-5-硝基喹啉 、 水 作用下， 以 硫酸 为溶剂， 反应 17.0h， 生成 6-氯-5-硝基喹啉
  参考文献：
  名称：

  COMPOUNDS AND METHODS USEFUL FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION

  摘要：

  本文提供了在治疗炎症和免疫相关疾病和病况方面有用的化合物、组合物和方法。具体而言，本发明提供了调节参与过敏性疾病、炎症病症和癌症的蛋白质的功能和/或表达的化合物。所述化合物为羧酸衍生物。

  公开号：

  US20080312270A1

文献信息

• Synthesis of near-infrared fluorescent rhodamines <i>via</i> an S_NAr^H reaction and their biological applications
  作者：Qing Wang、Kun Huang、Songtao Cai、Chang Liu、Xiaojie Jiao、Song He、Liancheng Zhao、Xianshun Zeng

  DOI：10.1039/c8ob01701h

  日期：——

  the preparation of a wide variety of π-extended near-infrared fluorescent rhodamine dyes. Using this strategy, seven rectilinearly π-extended rhodamines (RE1–RE7) that had fluorescence emission wavelengths in the near-infrared region were synthesized. RE1, RE3, and RE4 were lysosome targetable and showed good photostabilities. In addition, using dye RE1 as a precursor, we constructed a novel NIR fluorescent

  由于减少了来自生物样品的干扰吸收和荧光，减少了散射并提高了组织穿透深度，近红外（NIR）染料在生物医学中引起了人们的极大兴趣。在这种情况下，我们报告了使用芳香族氢的独特分子内亲核取代（S N Ar H）策略合成直线π延伸的若丹明染料的方法。该策略利用了预先组织的芳族氨基氮与x吨离子中电子不足的碳之间的S N Ar H反应。S N Ar H本文提出的反应可在没有过渡金属催化剂的温和条件下进行，并且有望实现多种π扩展的近红外荧光若丹明染料的制备。使用这种策略，合成了在近红外区域具有荧光发射波长的七个直线π扩展的若丹明（RE1-RE7）。RE1，RE3和RE4可溶酶体靶向，并显示出良好的光稳定性。此外，我们以染料RE1为前体，构建了一种新型的NIR荧光开启探针（RE1-Cu），可用于检测Cu 2+ 在活细胞中的含量，证明了我们近红外功能荧光染料的价值。
• Intermediates for making N-aryl and N-heteroarylamide and urea
  申请人：Pfizer Inc.

  公开号：US05362878A1

  公开（公告）日：1994-11-08

  Compounds of the formula ##STR1## wherein R.sup.21 and R.sup.22 are as defined in the specification which are intermediates useful in the preparation of compounds of the formula ##STR2## and the pharmaceutically acceptable salts thereof, wherein Q and R.sup.1 are as defined in the specification. The compounds of formula I are inhibitors of acyl coenzyme A: cholesterol acyltransferase (ACAT) and are useful as hypolipidemic and antiatherosclerosis agents.

  式为##STR1##的化合物，其中R.sup.21和R.sup.22如规范中所定义，这些化合物是制备式为##STR2##及其药用可接受盐的中间体，在该中间体中Q和R.sup.1如规范中所定义。式I的化合物是酰辅酶A：胆固醇酰基转移酶（ACAT）的抑制剂，可用作降脂和抗动脉粥样硬化药物。
• 유기 전기 발광 소자용 발광 재료, 이를 이용한 유기 전기 발광 소자 및 유기 전기 발광 소자용 재료
  申请人：CHOI,DON-SOO 최돈수(419990450773)

  公开号：KR20150033272A

  公开（公告）日：2015-04-01

  발광효율 및 열적 안정성이 우수한 신규 방향족 화합물, 그의 제조방법 및 상기 신규 방향족 화합물을 포함하는 유기전자소자가 제시된다.

  提供了一种发光效率和热稳定性优异的新型芳香族化合物，以及其制备方法和包含该新型芳香族化合物的有机电子器件。
• THE SYNTHESIS OF PYRIDOCARBAZOLES
  作者：Marshall Kulka、R. H. F. Manske

  DOI：10.1139/v52-084

  日期：1952.9.1

  7H-Pyrido(2,3-c)- (IX, R=H) and 7H-pyrido(3,2-c)carbazole (V, R=H) have been synthesized by unambiguous routes and shown to be identical with the products resulting from the Fischer-indole ring closure followed by dehydro-genation of 6- and 7-quinolylhydrazone of cyclohexanone respectively. The cyclization of N-substituted-1,2,3,4-tetrahydro-6- and -7-quinolylhydrazone of cyclohexanone followed by

  7H-吡啶并(2,3-c)- (IX, R=H) 和 7H-吡啶并(3,2-c)咔唑 (V, R=H) 已通过明确的路线合成，并显示与由 Fischer-吲哚闭环产生的产物，然后分别将环己酮的 6-和 7-喹啉腙脱氢。环己酮的 N-取代-1,2,3,4-四氢-6-和-7-喹啉腙环化，然后水解和脱氢产生线性多环系统，6H-吡啶并（3,2-b）-（ VIII) 和 10H-吡啶并(2,3-b)咔唑 (IV)。现在已经制备了12种可能的吡啶并咔唑。1-苯基-5-氨基-1-苯并-三唑(X)的Skraup反应产物的结构已经确定。
• 一类细胞坏死抑制剂及其制备方法和用途
  申请人：中国科学院上海有机化学研究所

  公开号：CN110642874B

  公开（公告）日：2023-03-28

  本发明提供了一类细胞坏死抑制剂及其制备方法和用途，具体地，本发明提供了一种抑制细胞坏死和/或人受体相互作用蛋白1激酶(RIP1)的抑制剂，所述的抑制剂具有如下式I所示的结构。所述的化合物及包含其的组合物可用于预防和/或治疗涉及细胞死亡和/或炎症的疾病。