3-溴-2-硝基苯胺 | 7138-15-0

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 烃类硝化物
• 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: 3-溴-2-硝基苯胺
• 中文别名: 2-硝基-3-溴苯胺
• 英文名称: 3-bromo-2-nitroaniline
• CAS: 7138-15-0
• 化学式: C₆H₅BrN₂O₂
• 分子量: 217.022
• InChiKey: GLKHLBAXHLAQBJ-UHFFFAOYSA-N

物化性质

• 熔点：
  118 °C
• 沸点：
  298.4±20.0 °C(Predicted)
• 密度：
  1.812±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 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：
  71.8
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 危险等级：
  6.1
• 安全说明：
  S26,S36/37,S60,S9
• 危险类别码：
  R20/21/22,R36/37/38
• 海关编码：
  29214200
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302+H312+H332,H315,H319,H335
• 储存条件：
  室温

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Bromo-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: 3-Bromo-2-nitroaniline
CAS number: 7138-15-0

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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: C6H5BrN2O2
Molecular weight: 217.0

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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
UN Number: UN2811 Class: 6.1 Packing group: III
Proper shipping name: TOXIC SOLIDS, ORGANIC, N.O.S. (3-Bromo-2-nitroaniline)

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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：

  3-溴-2-硝基苯胺 在 铁粉 、 溶剂黄146 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 4-bromo-1H-benzo[d]imidazol-2(3H)-one
  参考文献：
  名称：

  （1 'S，2 R，4 'S）-3 H -4'-氮杂螺[苯并[4,5]咪唑[2,1 - b ]恶唑-2,2'-对α7神经元烟碱样受体具有高亲和力的双环[2.2.2]辛烷]

  摘要：

  我们描述了一系列（1'S，2R，4'S）-3H-4'-azaspiro [苯并[4,5]咪唑[2,1-b]恶唑-2,2'的有效和收敛合成-双环[2.2.2]辛烷]与相关的5-HT 3A受体相比，对α7烟碱乙酰胆碱受体（nAChR）的效能高，选择性好。

  DOI：

  10.1016/j.bmcl.2017.10.009
• 作为产物：
  描述：

  1,2-二硝基-4-溴化苯 、 氨 、 furan-2,3,5(4H)-trione pyridine (1:1) 生成 4-溴-2-硝基苯酚 、 2-硝基-5-溴苯酚 、 3-溴-2-硝基苯胺
  参考文献：
  名称：

  Blanksma, Recueil des Travaux Chimiques des Pays-Bas, 1902, vol. 21, p. 421

  摘要：

  DOI：

文献信息

• [EN] QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS<br/>[FR] COMPOSÉS QUINUCLIDINE EN TANT QUE LIGANDS DU RÉCEPTEUR NICOTINIQUE ALPHA-7 DE L'ACÉTYLCHOLINE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2016073407A1

  公开（公告）日：2016-05-12

  There are disclosed a series of quinuclidines having the Formula (I). which bind to the nicotinic α7 receptor and may be useful for the treatment of disorders of the central nervous system.

  揭示了一系列具有化学式（I）的喹诺啉类化合物，它们与尼古丁型α7受体结合，可能对中枢神经系统疾病的治疗有用。
• METALLO-BETA-LACTAMASE INHIBITORS
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20160333021A1

  公开（公告）日：2016-11-17

  The present invention relates to compounds of formula (I) that are metallo-β-lactamase inhibitors, the synthesis of such compounds, and the use of such compounds for use with β-lactam antibiotics for overcoming resistance.

  本发明涉及式(I)的化合物，这些化合物是金属β-内酰胺酶抑制剂，以及这些化合物的合成和与β-内酰胺类抗生素一起用于克服耐药性的用途。
• 3-(BENZOIMIDAZOL-2-YL)-INDAZOLE INHIBITORS OF THE WNT SIGNALING PATHWAY AND THERAPEUTIC USES THEREOF
  申请人：Samumed, LLC

  公开号：US20140194441A1

  公开（公告）日：2014-07-10

  Indazole compounds for treating various diseases and pathologies are disclosed. More particularly, the present disclosure concerns the use of an indazole compound or analogs thereof, in the treatment of disorders characterized by the activation of Wnt pathway signaling (e.g., cancer, abnormal cellular proliferation, angiogenesis, Alzheimer's disease, lung disease and osteoarthritis), the modulation of cellular events mediated by Wnt pathway signaling, as well as genetic diseases and neurological conditions/disorders/diseases due to mutations or dysregulation of the Wnt pathway and/or of one or more of Wnt signaling components. Also provided are methods for treating Wnt-related disease states.

  揭示了用于治疗各种疾病和病理的吲唑化合物。更具体地，本公开涉及使用吲唑化合物或其类似物治疗由Wnt途径信号激活所特征的疾病（例如癌症、异常细胞增殖、血管生成、阿尔茨海默病、肺部疾病和骨关节炎），调节由Wnt途径信号介导的细胞事件，以及由于Wnt途径和/或一个或多个Wnt信号组分的突变或失调而导致的遗传疾病和神经系统疾病/疾患/疾病。还提供了治疗与Wnt相关疾病状态的方法。
• [EN] TRIAZOLOPYRAZINE DERIVATIVES AND THEIR USE FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS<br/>[FR] DÉRIVÉS DE TRIAZOLOPYRAZINE ET LEUR UTILISATION POUR LE TRAITEMENT DE TROUBLES NEUROLOGIQUES ET PSYCHIATRIQUES
  申请人：LUNDBECK & CO AS H

  公开号：WO2013034755A1

  公开（公告）日：2013-03-14

  The present invention is directed to triazolopyrazine compounds of Formula (I). Separate aspects of the invention are directed to pharmaceutical compositions comprising said compounds and uses of the compounds as therapeutic agents treating neurological and psychiatric disorders.

  本发明涉及式(I)的三唑吡嗪化合物。该发明的不同方面涉及包含所述化合物的药物组合物以及将该化合物用作治疗神经系统和精神疾病的治疗剂的用途。
• [EN] TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX<br/>[FR] INHIBITEURS DE LA MYÉLOPEROXYDASE ET/OU DE L'EPX À BASE DE TRIAZOLOPYRIDINES
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2017161145A1

  公开（公告）日：2017-09-21

  The present invention provides compounds of Formula (I); wherein the substituents are each as defined in the specification, and compositions comprising any of such novel compounds. These compounds are myeloperoxidase (MPO) inhibitors and/or eosinophil peroxidase (EPX) inhibitors, and may be useful for for the treatment and/or prophylaxis of atherosclerosis, heart failure, chronic obstructive pulmonary disease (COPD), and related diseases.

  本发明提供了式(I)的化合物；其中取代基各自如说明书中所定义，以及包含任一此类新颖化合物的组合物。这些化合物是髓过氧化物酶（MPO）抑制剂和/或嗜酸性粒细胞过氧化物酶（EPX）抑制剂，并且可用于治疗和/或预防动脉粥样硬化、心力衰竭、慢性阻塞性肺病（COPD）及相关疾病。