5-溴-2-氯硝基苯 | 16588-24-2

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 烃类卤化物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 5-溴-2-氯硝基苯
• 中文别名: 2-氯-5-溴硝基苯；4-溴-1-氯-2-硝基苯
• 英文名称: 4-bromo-1-chloro-2-nitrobenzene
• 英文别名: 2-chloro-5-bromonitrobenzene；5-bromo-2-chloronitrobenzene
• CAS: 16588-24-2
• 化学式: C₆H₃BrClNO₂
• 分子量: 236.452
• InChiKey: DJRYWPGOQTUJMQ-UHFFFAOYSA-N

物化性质

• 熔点：
  0°C
• 沸点：
  0°C
• 密度：
  2.035 g/cm3(Temp: 16 °C)
• 闪点：
  0°C
• 溶解度：
  溶于甲醇
• 最大波长(λmax)：
  313nm(H2O)(lit.)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 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：
  45.8
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 危险类别：
  IRRITANT
• 危险性防范说明：
  P305+P351+P338
• 危险性描述：
  H315,H319
• 储存条件：
  室温且干燥

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 5-Bromo-2-chloronitrobenzene
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-Bromo-2-chloronitrobenzene
CAS number: 16588-24-2

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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: C6H3BrClNO2
Molecular weight: 236.5

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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, hydrogen bromide.

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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：

  5-溴-2-氯硝基苯 在 sodium acetate 作用下， 以 乙醇 、 水 为溶剂， 反应 4.0h， 生成 N-[2-(4-bromo-2-nitrophenyl)sulfanyl-6-ethoxyphenyl]formamide
  参考文献：
  名称：

  Gupta, Radha Raman; Kumar, Rakesh, Heterocycles, 1984, vol. 22, # 5, p. 1169 - 1173

  摘要：

  DOI：
• 作为产物：
  描述：

  硝基氯苯 在 溴 作用下， 生成 5-溴-2-氯硝基苯
  参考文献：
  名称：

  某些新型1 H-苯并咪唑类化合物的合成及其对念珠菌的有效抗真菌活性

  摘要：

  合成了一系列47种新颖的N 1-烷基化-2-芳基-5（6）-取代的1 H-苯并咪唑及其三种新颖的吲哚类似物，并通过试管稀释法评估了其对念珠菌的体外抗真菌活性。结果表明，苯并咪唑类化合物在C-2位置具有吡啶的化合物79和80表现出最大的活性，MIC值为6.25–3.12μg/ mL。吲哚类似物108-110没有抑制活性。J.杂环化​​学，（2009）。

  DOI：

  10.1002/jhet.179

文献信息

• [EN] SUBSTITUTED CYCLOPROPYL-2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME<br/>[FR] COMPOSÉS DE CYCLOPROPYL-2,2'-BIPYRIMIDINYL SUBSTITUÉS, ANALOGUES DE CEUX-CI, ET PROCÉDÉS LES UTILISANT
  申请人：ARBUTUS BIOPHARMA INC

  公开号：WO2021025976A1

  公开（公告）日：2021-02-11

  The present disclosure includes novel substituted cyclopropyl-2,2'-bipyrimidinyl compounds, and compositions comprising the same, that can be used to treat or prevent hepatitis B virus (HBV) infection and/or hepatitis D virus (HDV) infection in a patient.

  本公开涵盖了新型的取代环丙基-2,2'-双嘧啶基化合物，以及包含这些化合物的组合物，可用于治疗或预防患者体内的乙型肝炎病毒（HBV）感染和/或丙型肝炎病毒（HDV）感染。
• Substituted piperazines
  申请人：ChemoCentryx, Inc.

  公开号：US20040162282A1

  公开（公告）日：2004-08-19

  Compounds are provided that act as potent antagonists of the CCR1 receptor, and which have been further confirmed in animal testing for inflammation, one of the hallmark disease states for CCR1. The compounds are generally aryl piperazine derivatives and are useful in pharmaceutical compositions, methods for the treatment of CCR1-mediated diseases, and as controls in assays for the identification of competitive CCR1 antagonists.

  提供了作为CCR1受体强效拮抗剂的化合物，并且这些化合物在动物炎症测试中进一步得到确认，炎症是CCR1的典型疾病状态之一。这些化合物通常是芳基哌嗪衍生物，在制药组合物、治疗CCR1介导疾病的方法以及用作竞争性CCR1拮抗剂鉴定的检测中是有用的。
• Palladium-Catalyzed Cyanation of Aryl Halides Using Formamide and Cyanuric Chloride as a New “CN” Source
  作者：Esmaeil Niknam、Farhad Panahi、Ali Khalafi-Nezhad

  DOI：10.1002/ejoc.202000117

  日期：2020.5.14

  Combination of formamide and cyanuric chloride afforded a new combined “CN” source which is highly stable and safe and can be used in organic cyanation transformation reactions instead of common cyanide sources. This study unfolds the efficient Pd‐catalyzed cyanation of aryl halides using TCT‐formamide reagent as a new combined “CN” source.

  甲酰胺和氰尿酰氯的组合提供了一种新的组合“ CN”源，该源高度稳定且安全，可代替常规氰化物源用于有机氰化转化反应中。这项研究利用TCT-甲酰胺试剂作为新的组合“ CN”源，揭示了钯在芳基卤化物上的高效钯催化氰化反应。
• [EN] OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER<br/>[FR] DÉRIVÉS D'OXAZOLE DESTINÉS ÊTRE UTILISÉS DANS LE TRAITEMENT DU CANCER
  申请人：LIFEARC

  公开号：WO2018122550A1

  公开（公告）日：2018-07-05

  A first aspect of the invention relates to a compound of formula (I), or a pharmaceutically acceptable salt or ester thereof, wherein: • B is an aryl or heteroaryl group optionally substituted by one or more R10 groups; and * X is selected from 0, (CR11 R12 ) p and (CR11 R12 ) p CO. Said compounds are capable of inhibiting PAICS and are useful in the treatment of proliferative disorders. Further aspects relate to pharmaceutical compositions, therapeutic uses and process for preparing compounds of formula (I).

  该发明的第一个方面涉及式(I)的化合物，或其药学上可接受的盐或酯，其中：• B是芳基或杂芳基，可选择地由一个或多个R10基团取代；和* X从0，(CR11 R12) p和(CR11 R12) p CO中选择。所述化合物能够抑制PAICS，并且在治疗增生性疾病方面是有用的。进一步的方面涉及制药组合物、治疗用途和制备式(I)化合物的过程。
• Thiazolidine derivatives
  申请人：Hoechst Aktiengesellschaft

  公开号：US04061761A1

  公开（公告）日：1977-12-06

  The invention relates to thiazolidine derivatives having in 4-position a hydroxy group and a 3'-sulphamyl-phenyl substituent, in 2-position an imino group and in 1-position an aliphatic or cycloaliphatic substituent. Said thiazolidines have diuretic activity. The invention also relates to a process for the manufacture of said compounds.

  本发明涉及在4位具有羟基和3'-磺酰氨基-苯基取代基，在2位具有亚氨基，在1位具有脂肪族或环脂肪族取代基的噻唑烷衍生物。所述噻唑烷具有利尿活性。本发明还涉及制造所述化合物的方法。