N-(2-硝基苯基)-1,2-乙二胺 | 51138-16-0

• 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: N-(2-硝基苯基)-1,2-乙二胺
• 中文别名: 2-氨基乙基-(2-硝基苯基)胺；N-(2-硝基苯基)乙烷-1,2-二胺盐酸盐；N-(2-氨基乙基)-2-硝基苯胺；N-(2-硝基苯基)乙烷-1,2-二胺
• 英文名称: N-(2-nitrophenyl)ethylenediamine
• 英文别名: N'-(2-nitro-phenyl)-ethane-1,2-diamine；N1-(2-nitrophenyl)ethane-1,2-diamine；N-(2-aminoethyl)-2-nitroaniline；N'-(2-nitrophenyl)ethane-1,2-diamine
• CAS: 51138-16-0
• 化学式: C₈H₁₁N₃O₂
• mdl: MFCD00622913
• 分子量: 181.194
• InChiKey: OQOLYTBWYAUNJX-UHFFFAOYSA-N

物化性质

• 沸点：
  314.3°C (rough estimate)
• 密度：
  1.2444 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  83.9
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2921590090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: N-(2-Aminoethyl)-2-nitroaniline
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: N-(2-Aminoethyl)-2-nitroaniline
CAS number: 51138-16-0

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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: C8H11N3O2
Molecular weight: 181.2

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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：

  N-(2-硝基苯基)-1,2-乙二胺 在 sodium hydroxide 、 potassium carbonate 、 potassium iodide 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 15.0h， 生成 N-(2-nitrophenyl)ethylenediamine-N',N'-diacetic acid
  参考文献：
  名称：

  用于Re（I）有机金属化学的新型乙二胺或丙二胺二乙酸衍生物的设计与合成

  摘要：

  已经开发出一种新的合成新型方法，用于“ fac- [M（CO）3 ] + ”核心（M = 99m Tc，99 Tc或Re）的新型双功能螯合剂（BCA）。该策略包括方便地制备具有叔胺的这些三齿配体，所述叔胺带有两个羧酸官能团作为配位位点和一个芳香族氨基基团以偶联至生物载体。首次络合研究表明，这些化合物仅充当三齿配体（通过两种酸和叔胺官能团）。这些新配体的便捷合成及其对Re（I）的高亲和力使它们在生物医学应用中非常有前途。

  DOI：

  10.1016/j.tet.2003.11.058
• 作为产物：
  描述：

  2-(2-硝基苯基氨基)乙基氨基甲酸叔丁酯 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 N-(2-硝基苯基)-1,2-乙二胺
  参考文献：
  名称：

  Studies on the novel anti-staphyloccal compound nematophin

  摘要：

  A number of analogues of the recently described compound nematophin were prepared and studied for antibacterial activity. The 2-phenyl derivative was found to exhibit exceptional activity against methicillin resistant Staphylococcus aureus (MRSA) whereas the isosteric benzimidazole analogue was much less active. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00331-0

文献信息

• Synthesis of Selected Novel Covalently Linked Flavoquinolones
  作者：Ram Singh、Geetanjali

  DOI：10.1055/s-2005-870019

  日期：——

  The synthesis of novel covalently linked flavoquino­lones via amide bond is described using mixed anhydride method and their spectroscopic studies have been done by UV/Vis and 1H NMR spectroscopic data.

  描述了通过混合酸酐法合成新型共价连接的黄酮喹诺酮类化合物，并通过紫外/可见光谱和1H核磁共振光谱数据进行了其光谱学研究。
• Two regioisomeric and exclusively selective Hg(<scp>ii</scp>) sensor molecules composed of a naphthalimide fluorophore and an o-phenylenediamine derived triamide receptor
  作者：Jiaobing Wang、Xuhong Qian

  DOI：10.1039/b511319a

  日期：——

  This communication presents two regioisomeric fluorescent PET Hg(II) sensors RS, which contain a novel o-phenylenediamine based triamide receptor; RS could be used to detect Hg(II) with exclusive selectivity, high fluorescence enhancement, and fast and reversible response in a neutral buffered aqueous solution.

  本研究介绍了两类区域异构的荧光PET汞(II)离子传感器RS，其核心是一种基于邻苯二胺的新型三酰胺受体；RS在缓冲中性水溶液中能够专一性地检测汞(II)离子，展现出高荧光增强效应、快速且可逆的响应特性。
• Aryl piperidine amides
  申请人：Huang Q. Charles

  公开号：US20050049239A1

  公开（公告）日：2005-03-03

  The invention provides novel GlyT2 inhibiting compounds useful in modulating, treating, or preventing: anxiolytic disorders; a condition requiring treatment of injured mammalian nerve tissue; a condition amenable to treatment through administration of a neurotrophic factor; a neurological disorder; or obesity; an obesity-related disorder.

  该发明提供了新颖的GlyT2抑制化合物，可用于调节、治疗或预防：焦虑症；需要治疗受伤哺乳动物神经组织的状况；适合通过神经营养因子管理治疗的状况；神经系统紊乱；或肥胖症；与肥胖相关的疾病。
• Atropisomerism in Amidinoquinoxaline <i>N-</i>Oxides: Effect of the Ring Size and Substituents on the Enantiomerization Barriers
  作者：Jimena E. Díaz、Nicolas Vanthuyne、Hélène Rispaud、Christian Roussel、Daniel Vega、Liliana R. Orelli

  DOI：10.1021/jo502626f

  日期：2015.2.6

  support. A clear ring size effect was evidenced. In all cases, six-membered amidine derivatives 1 showed higher barriers than the corresponding lower homologues 2, which also display lower sensitivity to the substituent size. Transition states for the interconversion of the atropisomers were located using DFT calculations, and involved the interaction of the ortho substituent with the formally sp2 nitrogen

  新型的带有不对称（邻位取代）5-芳基残基的2,3-二氢-1 H-嘧啶并[1,2 - a ]喹喔啉6-氧化物1和同源的1,2-二氢咪唑并[1,2-研究了α ]喹喔啉5-氧化物2。已证明化合物1a存在手性轴通过X射线衍射和基态几何的DFT计算。阻转异构体对映体在手性固定相上的拆分得到了报道。通过离线外消旋研究和/或在手性支持物色谱过程中通过处理平台形色谱图来确定对映异构化的障碍。明显的环尺寸效应被证明。在所有情况下，六元am衍生物1都比相应的较低同系物2表现出更高的势垒，后者对取代基的大小也表现出较低的敏感性。通过DFT计算确定了对映异构体互变的过渡态，并涉及邻位取代基与形式为sp 2的相互作用部分中的氮。相反，在2-硝基衍生物的最有利的对映异构转变状态下，邻位取代基接近于N-氧化物基团。
• A two-photon fluorescent probe for lysosomal zinc ions
  作者：Hyo-Jun Lee、Chang-Woo Cho、Hyewon Seo、Subhankar Singha、Yong Woong Jun、Kyung-Ha Lee、Youngseob Jung、Kyong-Tai Kim、Seongjun Park、Sung Chul Bae、Kyo Han Ahn

  DOI：10.1039/c5cc06976a

  日期：——

  A fluorescent probe that selectively detects Zn(ii) ions in lysosomes has been developed and applied to the two-photon imaging of Zn(ii) ions in cells and tissues.

  已经开发出一种能够选择性检测溶酶体中Zn（II）离子的荧光探针，并应用于细胞和组织中Zn（II）离子的双光子成像。