4-Brom-2-nitro-diphenylamin | 16588-25-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-Brom-2-nitro-diphenylamin
• 英文别名: 4-Bromo-2-nitro-N-phenylaniline
• CAS: 16588-25-3
• 化学式: C₁₂H₉BrN₂O₂
• 分子量: 293.12
• InChiKey: YYBRRJVPEFDOOE-UHFFFAOYSA-N

物化性质

• 熔点：
  65-66 °C
• 沸点：
  382.7±32.0 °C(Predicted)
• 密度：
  1.597±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  57.8
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2921420090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Bromo-2-nitro-N-phenylaniline
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: 4-Bromo-2-nitro-N-phenylaniline
CAS number: 16588-25-3

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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: C12H9BrN2O2
Molecular weight: 293.1

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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, 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：

  4-Brom-2-nitro-diphenylamin 在 lead 、 草酸亚铁 作用下， 生成 2-溴吩嗪
  参考文献：
  名称：

  Phenazine Syntheses. I. Halogen-Substituted Phenazines

  摘要：

  DOI：

  10.1021/jo50014a023
• 作为产物：
  描述：

  2,5-二溴硝基苯 、 苯胺 在 sodium acetate 作用下， 反应 7.0h， 生成 4-Brom-2-nitro-diphenylamin
  参考文献：
  名称：

  带有 BODIPY 取代的 N-杂环卡宾 (NHC) 配体的中性铱 (iii) 配合物：合成、光物理学、体外治疗诊断光动力疗法和抗菌活性†

  摘要：

  报道了一系列新型中性杂配环金属化铱 ( III ) 配合物的合成、光物理和光生物学活性，这些配合物包含硼二吡咯亚甲基 (BODIPY) 取代的 N-杂环卡宾 (NHC) 配体 ( Ir1–Ir5 )。NHC配体上BODIPY的取代位置（苯环的C4（Ir1-Ir3）或苯并咪唑单元的C5（Ir4和Ir5））及其连接体类型（单键或三键）对光物理性能的影响性质进行了研究。Ir1–Ir5在 530–543 nm处表现出 BODIPY 局部强烈的1 IL（配体内跃迁）/ 1 MLCT（金属到配体电荷转移）吸收，并在582 nm 处表现出1,3 IL/ 1,3 CT（电荷转移）发射。 610 纳米。纳秒瞬态吸收结果表明，这些配合物的最低三重激发态是BODIPY局域的3 π,π*态。与配合物Ir1和Ir3中相应的吸收和发射带相比，配合物Ir4和Ir5表现出蓝移的1IL吸收和1,3IL / 1,3CT发射带

  DOI：

  10.1039/c9pp00142e

文献信息

• ORGANIC LIGHT EMITTING DEVICE AND PREPARATION METHOD THEREOF
  申请人：Wuhan China Star Optoelectronics Technology Co., Ltd.

  公开号：US20180331302A1

  公开（公告）日：2018-11-15

  The present invention relates to a display technical field, especially to an organic light emitting device which includes from the bottom to the top: a substrate, an anode layer, a hole injection layer, a hole transport layer, an exciton blocking layer, an organic light emitting layer, an electron transport layer, an electron injection layer and a cathode layer; the material of the organic light emitting layer includes benzimidazole derivative as illustrated in Formula 1, wherein P1, P2 and P3 are benzene rings, and at least one of R 1 ˜R 12 is a substituent having hole transport ability. The present invention further provides preparing methods for the organic light emitting layer and device.

  本发明涉及显示技术领域，特别是一种有机发光器件，其从底部到顶部包括：基板、阳极层、空穴注入层、空穴传输层、激子阻挡层、有机发光层、电子传输层、电子注入层和阴极层；有机发光层的材料包括如图1所示的苯并咪唑衍生物， 其中P1、P2和P3为苯环，R1~R12中至少一个是具有空穴传输能力的取代基。本发明还提供了有机发光层和器件的制备方法。
• Combined treatment with an EGFR kinase inhibitor and an agent that sensitizes tumor cells to the effects of EGFR kinase inhibitors
  申请人：Buck A. Elizabeth

  公开号：US20070280928A1

  公开（公告）日：2007-12-06

  The present invention provides a method for treating NSCL, pancreatic, colon or breast cancer tumors or tumor metastases in a patient, comprising administering to the patient simultaneously or sequentially a therapeutically effective amount of a combination of an EGFR kinase inhibitor and an agent that sensitizes tumor cells to the effects of EGFR kinase inhibitors, wherein the agent is an mTOR inhibitor, with or without additional agents or treatments, such as other anti-cancer drugs or radiation therapy. The present invention also provides a method for treating tumors or tumor metastases in a patient, comprising administering to said patient simultaneously or sequentially a therapeutically effective amount of a combination of an EGFR kinase inhibitor and an agent that sensitizes tumor cells to the effects of EGFR kinase inhibitors, wherein said agent is an mTOR inhibitor that binds to and directly inhibits both mTORC1 and mTORC2 kinases. The present invention also provides a pharmaceutical composition comprising an EGFR kinase inhibitor and an mTOR inhibitor that binds to and directly inhibits both mTORC1 and mTORC2 kinases, in a pharmaceutically acceptable carrier. A preferred example of an EGFR kinase inhibitor that can be used in practicing the methods of this invention is the compound erlotinib HCl (also known as TARCEVA®).

  本发明提供了一种治疗患者体内NSCL、胰腺、结肠或乳腺癌肿瘤或肿瘤转移的方法，包括向患者同时或顺序给予治疗有效量的EGFR激酶抑制剂和一种使肿瘤细胞对EGFR激酶抑制剂产生敏感性的药物的组合，其中该药物是mTOR抑制剂，可以附加其他药物或治疗，如其他抗癌药物或放射治疗。本发明还提供了一种治疗患者体内肿瘤或肿瘤转移的方法，包括向患者同时或顺序给予治疗有效量的EGFR激酶抑制剂和一种使肿瘤细胞对EGFR激酶抑制剂产生敏感性的药物的组合，其中该药物是一种能够结合并直接抑制mTORC1和mTORC2激酶的mTOR抑制剂。本发明还提供了一种制药组合物，包括一种能够结合并直接抑制mTORC1和mTORC2激酶的EGFR激酶抑制剂和mTOR抑制剂，以及一种药用载体。本发明中可用于实施该方法的EGFR激酶抑制剂的首选示例是化合物厄洛替尼盐酸盐（也称为TARCEVA®）。
• Fused bicyclic mTOR inhibitors
  申请人：Chen Xin

  公开号：US20070112005A1

  公开（公告）日：2007-05-17

  Compounds represented by Formula (I) or a pharmaceutically acceptable salt thereof, are inhibitors of mTOR and useful in the treatment of cancer.

  由化学式(I)代表的化合物或其药用可接受的盐，是mTOR的抑制剂，可用于癌症的治疗。
• Compound Shape Effects in Minor Groove Binding Affinity and Specificity for Mixed Sequence DNA
  作者：Pu Guo、Abdelbasset A. Farahat、Ananya Paul、Narinder K. Harika、David W. Boykin、W. David Wilson

  DOI：10.1021/jacs.8b08152

  日期：2018.11.7

  of the DNA minor groove and H-bond to the -NH of G·C base pairs that project into the minor groove. Initial compounds bind strongly to a single G·C base pair in an AT context with a specificity ratio of 50 ( KD AT-GC/ KD AT) or less and this is somewhat low for biological use. We felt that modifications of compound shape could be used to probe local DNA microstructure in target mixed base pair sequences

  结合在 DNA 双链体小沟中的特定杂环阳离子作为细胞和核染色剂以及作为可有效进入人体细胞的治疗剂取得了重大成功。扩大小沟化合物的 DNA 序列识别能力也可以扩大其治疗靶点，并在许多领域产生影响，例如转录因子生物活性的调节。使用 N-甲基苯并咪唑 (N-MeBI) 噻吩已成功设计出混合序列结合化合物，这些噻吩经过预先组织以适合 DNA 小沟的形状以及与投射的 G·C 碱基对的 -NH 上的氢键进入小凹槽。初始化合物在 AT 环境中与单个 G·C 碱基对强烈结合，特异性比率为 50 (KD AT-GC/KD AT) 或更低，这对于生物学用途来说有点低。我们认为，化合物形状的修饰可用于探测 DNA 目标混合碱基对序列中的局部 DNA 微观结构，并有可能提高化合物的结合选择性。通过增加苯并咪唑 N-取代基的大小（例如，使用 N-异丁基代替 N-Me）以及通过在化合物芳香核上的特定位置引入取代来改变
• 一种含氮杂环衍生物及其在有机电致发光器件中的应用
  申请人：长春海谱润斯科技有限公司

  公开号：CN106220571A

  公开（公告）日：2016-12-14

  本发明提供一种含氮杂环衍生物及其在有机电致发光器件中的应用，涉及有机光电材料技术领域。该含氮杂环衍生物具有式Ⅰ所示结构，可用于制备有机电致发光器件，本发明合成的化合物用于OLED器件制备中的电子注入层材料，可以有效降低驱动电压，提高器件发光强度，是性能优良的有机发光材料。上述器件可用于平板显示器，照明光源，手机屏幕、信号灯等应用领域。