4,5-二硝基-1,2-氨基苯 | 32690-28-1

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 芳香烃
• 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: 4,5-二硝基-1,2-氨基苯
• 中文别名: 4,5-二硝基-O-苯二胺；4,5-二硝基-1,2-二氨基苯
• 英文名称: 4,5-dinitro-1,2-phenylenediamine
• 英文别名: 4,5-dinitrobenzene-1,2-diamine；4,5-dinitro-o-phenylenediamine；1,2-diamino-4,5-dinitrobenzene；4,5-dinitro-1,2-diaminobenzene
• CAS: 32690-28-1
• 化学式: C₆H₆N₄O₄
• mdl: MFCD03427595
• 分子量: 198.138
• InChiKey: PCSIZKSNIWJKSK-UHFFFAOYSA-N

物化性质

• 熔点：
  216-218℃
• 沸点：
  335.43°C (rough estimate)
• 密度：
  1.683

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  14
• 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：
  144
• 氢给体数：
  2
• 氢受体数：
  6

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S36/37
• 危险类别码：
  R20/21/22
• 海关编码：
  2921590090
• 包装等级：
  III
• 危险类别：
  8
• 危险性防范说明：
  P280,P305+P351+P338,P310
• 危险品运输编号：
  3259
• 危险性描述：
  H314

SDS

Name:	4 5-Dinitro-1 2-phenylenediamine Material Safety Data Sheet
Synonym:	None Known
CAS:	32690-28-1

Section 1 - Chemical Product MSDS Name:4 5-Dinitro-1 2-phenylenediamine Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
32690-28-1	4,5-Dinitro-1,2-phenylenediamine	98%	unlisted

Hazard Symbols: XN
Risk Phrases: 20/21/22

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
The toxicological properties of this substance have not been fully investigated.
Inhalation:
Harmful if inhaled. May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid.
Skin:
In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse.
Ingestion:
If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 32690-28-1: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Crystalline powder
Color: dark green
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 213-218 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C6H6N4O4
Molecular Weight: 198.0664

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not currently available.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 32690-28-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4,5-Dinitro-1,2-phenylenediamine - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
Safety Phrases:
S 36/37 Wear suitable protective clothing and
gloves.
WGK (Water Danger/Protection)
CAS# 32690-28-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 32690-28-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 32690-28-1 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4,5-二硝基-1,2-氨基苯 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 、 乙醇 为溶剂， 20.0 ℃ 、500.0 kPa 条件下， 反应 24.0h， 生成 11,12-diaminodipyrido[3,2-a:2',3'-c]phenazine
  参考文献：
  名称：

  氨基和双（溴甲基）取代的双和四齿 N-杂芳族配体的合成：吡嗪官能化富勒烯二元组的构建单元

  摘要：

  在本文中，我们描述了菲咯啉 (phen)、吡嗪并 [2,3-f]-菲咯啉 (pphen)、双吡啶并 [3,2-a:2',3 的氨基和双 (溴甲基) 取代衍生物的合成'c]吩嗪 (dppz), 吡嗪并[2,3-i]双吡啶并[3,2-a:2',3'c]吩嗪, 2,3-双(2-吡啶基)吡嗪 (dpq), 2, 3-双（2-吡啶基）喹喔啉（dpq）和7,8-双（2-吡啶基）吡嗪并[2,3g]喹喔啉。这些取代的双齿和四齿 N-杂芳族配体是制备富勒烯配体 4-9 的潜在合成子。二酮、1,10-菲咯啉-5,6-二酮11a（苯二酮）、2,2-吡啶基11b和1,4-二溴-2,3-丁二酮33用作起始材料。苯二酮通过二酮 11a 的二肟通过两步合成转化为苯二胺 13。氨基取代的 dppz 和 dpq 衍生物是通过还原相应的硝基化合物获得的，硝基化合物是通过二酮 11a 和 11b 与适当的邻苯二胺衍生物的席夫碱缩合获得的。还提出了通过二氨基取代的

  DOI：

  10.1002/ejoc.200500548
• 作为产物：
  描述：

  N,N'-(4,5-二硝基-1,2-亚苯基)双(4-甲基苯磺酰胺) 在 硫酸 、 sodium carbonate 作用下， 以 水 为溶剂， 反应 4.0h， 以95%的产率得到4,5-二硝基-1,2-氨基苯
  参考文献：
  名称：

  氨基和双（溴甲基）取代的双和四齿 N-杂芳族配体的合成：吡嗪官能化富勒烯二元组的构建单元

  摘要：

  在本文中，我们描述了菲咯啉 (phen)、吡嗪并 [2,3-f]-菲咯啉 (pphen)、双吡啶并 [3,2-a:2',3 的氨基和双 (溴甲基) 取代衍生物的合成'c]吩嗪 (dppz), 吡嗪并[2,3-i]双吡啶并[3,2-a:2',3'c]吩嗪, 2,3-双(2-吡啶基)吡嗪 (dpq), 2, 3-双（2-吡啶基）喹喔啉（dpq）和7,8-双（2-吡啶基）吡嗪并[2,3g]喹喔啉。这些取代的双齿和四齿 N-杂芳族配体是制备富勒烯配体 4-9 的潜在合成子。二酮、1,10-菲咯啉-5,6-二酮11a（苯二酮）、2,2-吡啶基11b和1,4-二溴-2,3-丁二酮33用作起始材料。苯二酮通过二酮 11a 的二肟通过两步合成转化为苯二胺 13。氨基取代的 dppz 和 dpq 衍生物是通过还原相应的硝基化合物获得的，硝基化合物是通过二酮 11a 和 11b 与适当的邻苯二胺衍生物的席夫碱缩合获得的。还提出了通过二氨基取代的

  DOI：

  10.1002/ejoc.200500548

文献信息

• 一种芘酰亚胺衍生物及其合成方法和应用
  申请人：兰州大学

  公开号：CN108658993B

  公开（公告）日：2020-07-10

  一种芘酰亚胺衍生物及其合成方法和应用，其主要涉及半导体材料领域。上述芘酰亚胺衍生物的合成首先对芘的非活泼位点(4，5，9，10位)进行氧化，并通过溴原子取代、甲氧基化、氰基取代、水解、缩环等反应，引入具有吸电子能力的酰亚胺、吡嗪和卤素等基团，合成了一系列新颖的具有良好电子俘获能力的芘酰亚胺衍生物，从而使得芘酰亚胺衍生物应用在非易失性有机场效应晶体管存储器件中时，表现出了较佳的光电性能和存储性能；另外，上述的芘酰亚胺衍生物的合成方法还具有制备方法简便，步骤短，产率高等优点。因此，上述的芘酰亚胺衍生物及其合成方法和应用具备重要的推广应用价值。
• [EN] NOVEL BENZIMIDAZOLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS)<br/>[FR] MODULATEURS SELECTIFS DU RECEPTEUR D'ANDROGENE A BASE DE DERIVES BENZIMIDAZOLIQUES
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2006039243A1

  公开（公告）日：2006-04-13

  The present invention is directed to novel benzimidazole derivatives, pharmaceutical compositions containing them and their use in the treatment of disorders and conditions modulated by the androgen receptor.

  本发明涉及新型苯并咪唑衍生物，含有它们的药物组合物以及它们在治疗由雄激素受体调节的疾病和症状中的应用。
• Non-peptide GLP-1 agonists
  申请人：Teng Min

  公开号：US06927214B1

  公开（公告）日：2005-08-09

  Novel non-peptide GLP-1 agonists, pharmaceutical compositions comprising them, use of the non-peptide GLP-1 agonists for the preparation of pharmaceutical compositions and methods for the treatment and/or prevention of disorders and diseases wherein an activation of the human GLP-1 receptor is beneficial, especially metabolic disorders such as IGT, Type 1 diabetes, Type 2 diabetes and obesity.

  新型非肽类GLP-1激动剂，包括它们的药物组合物，使用非肽类GLP-1激动剂制备药物组合物以及治疗和/或预防激活人类GLP-1受体有益的疾病和疾病的方法，特别是代谢性疾病，如IGT、1型糖尿病、2型糖尿病和肥胖症。
• Synthesis and properties of π-conjugated donor–acceptor macrocycles derived from phenanthrylene building blocks
  作者：Bhimrao Vaijnath Phulwale、Sushil Kumar Mishra、Ctibor Mazal

  DOI：10.1016/j.tet.2018.05.025

  日期：2018.7

  intramolecular-charge-transfer (ICT) excited state was observed mainly in non-polar solvents. In more polar solvents, the excited states favor non-radiative relaxation. DFT calculated HOMO/LUMO energies of the macrocycles correlate well with spectroscopic and electrochemical data. In the series of substituted dibenzophenazine acceptors a good correlation with Hammett substituent constants σp– was found.

  合成了在其形状持久性完全共轭的核中结合了电子供体和电子受体亚基的菲撑乙炔大环。供体亚基由两个9，10-二烷氧基菲与1，2-乙叉基或2，5-亚噻吩基桥连接。受体是9，10-菲咯醌和二苯并喹喔啉和由其衍生的二苯并吩嗪。主要在非极性溶剂中观察到由分子内电荷转移（ICT）激发态引起的溶剂变色光致发光。在极性更大的溶剂中，激发态有利于非辐射弛豫。DFT计算得出的大环的HOMO / LUMO能量与光谱和电化学数据密切相关。在一系列取代的二苯并吩嗪受体中，与哈米特取代基常数σ具有良好的相关性p –被发现。
• Synthesis and biological evaluation of benzimidazole fused ellipticine derivatives as anticancer agents
  作者：N. Bramhananda Reddy、Venkata Ramudu Burra、L. K. Ravindranath、V. Naresh Kumar、Reddymasu Sreenivasulu、Palle Sadanandam

  DOI：10.1007/s00706-016-1684-z

  日期：2016.3

  AbstractA series of ten novel benzimidazole fused ellipticine derivatives have been synthesized and these compounds were evaluated for their antiproliferative activity against four human cancer cell lines (Zr-75-1, MCF-7, HeLa, and A-549). It is observed that all the synthesized compounds showed significant antiproliferative activity with GI50 values ranging from <0.1 to 34.6 μM, while the positive

  摘要已经合成了一系列十个新颖的苯并咪唑稠合玫瑰树碱衍生物，并评估了这些化合物对四种人类癌细胞系（Zr-75-1，MCF-7，HeLa和A-549）的抗增殖活性。观察到所有合成的化合物均显示出显着的抗增殖活性，GI 50值在<0.1至34.6μM之间，而阳性对照依托泊苷的GI 50分别在0.2-3.08μM范围内。一些化合物明显比依托泊苷更有效，在某些细胞系中亚微摩尔水平的GI 50浓度。 图形概要