2-溴-4-氨基苯甲酸 | 2486-52-4

• 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: 2-溴-4-氨基苯甲酸
• 英文名称: 2-Brom-4-aminobenzoesaeure
• 英文别名: 4-Amino-2-bromobenzoic acid
• CAS: 2486-52-4
• 化学式: C₇H₆BrNO₂
• mdl: MFCD01569396
• 分子量: 216.034
• InChiKey: AQBXIOGPHBWBFP-UHFFFAOYSA-N

物化性质

• 熔点：
  198-200°C
• 沸点：
  374.2±32.0 °C(Predicted)
• 密度：
  1.793±0.06 g/cm3(Predicted)
• 溶解度：
  溶于甲醇、水

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  63.3
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2922499990

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Amino-2-bromobenzoic acid
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-Amino-2-bromobenzoic acid
CAS number: 2486-52-4

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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: C7H6BrNO2
Molecular weight: 216.0

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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
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：

  2-溴-4-氨基苯甲酸 在 硫酸 、 sodium nitrite 、 水 作用下， 以 水 为溶剂， 反应 49.0h， 以94%的产率得到2-bromo-4-hydroxybenzoic acid
  参考文献：
  名称：

  通过光可逆自组装将光直接转换为连续的机械能：光动力发动机的原型。

  摘要：

  DOI：

  10.1002/anie.200705313
• 作为产物：
  描述：

  2-溴-4-硝基苯甲酸 在 barium dihydroxide 、 iron(II) sulfate 作用下， 生成 2-溴-4-氨基苯甲酸
  参考文献：
  名称：

  Frejka; Vitha, Spisy Vydavane Prirodovedeckou Fakultou Massarykovy University, 1925, # 48, p. 11

  摘要：

  DOI：

文献信息

• Therapeutic compounds for treating dyslipidemic conditions
  申请人：Adams D. Alan

  公开号：US20060178398A1

  公开（公告）日：2006-08-10

  The present invention relates to novel LXR ligands of Formula I and pharmaceutically acceptable salts, esters and tautomers thereof, which are useful in the treatment of dyslipidemic conditions, particularly depressed levels of HDL cholesterol.

  本发明涉及公式I的新型LXR配体及其药用盐、酯和互变异构体，可用于治疗脂质代谢异常症状，特别是降低HDL胆固醇水平。
• QUATERNARY AMMONIUM SALT COMPOUNDS
  申请人：Mitsuyama Etsuko

  公开号：US20120046467A1

  公开（公告）日：2012-02-23

  [Problem] The object of the present invention is to provide a novel compound having 132 adrenergic receptor agonist activity and muscarinic receptor antagonist activity. [Means for Solving the Problem] The present invention is a quaternary ammonium salt compounds represented by formula (I), or a pharmaceutically acceptable salt thereof, with superior β32 adrenergic receptor agonist activity and muscarinic receptor antagonist activity.

  本发明的目的是提供一种具有132肾上腺素受体激动剂活性和肌制剂受体拮抗活性的新型化合物。本发明是一种由化学式(I)表示的季铵盐化合物，或其在药学上可接受的盐，具有优越的β32肾上腺素受体激动剂活性和肌制受体拮抗活性。
• Nerve growth factor inhibitor with novel-binding domain demonstrates nanomolar efficacy in both cell-based and cell-free assay systems
  作者：Allison E. Kennedy、Corey A. Laamanen、Mitchell S. Ross、Rahul Vohra、Douglas R. Boreham、John A. Scott、Gregory M. Ross

  DOI：10.1002/prp2.339

  日期：2017.10

  Nerve growth factor (NGF), a member of the neurotrophin family, is known to regulate the development and survival of a select population of neurons through the binding and activation of the TrkA receptor. Elevated levels of NGF have been associated with painful pathologies such as diabetic neuropathy and fibromyalgia. However, completely inhibiting the NGF signal could hold significant side effects

  已知神经营养因子家族的成员神经生长因子（NGF）通过TrkA受体的结合和激活来调节特定神经元群体的发育和存活。NGF水平升高与诸如糖尿病性神经病和纤维肌痛之类的痛苦病理相关。但是，完全抑制NGF信号可能会产生重大副作用，例如在称为先天性疼痛和无汗症（CIPA）不敏感的遗传病中观察到的副作用。筛选NGF抑制剂的先前方法使用了具有改变分子相互作用潜力的标记技术。利用SPR光谱法和依赖NGF的细胞测定法来鉴定新型NGF抑制剂BVNP-0197（IC50 = 90 nmol / L），这是描述的首个具有高纳摩尔NGF抑制效率的NGF抑制剂。
• Ligand-free, palladacycle-facilitated Suzuki coupling of hindered 2-arylbenzothiazole derivatives yields potent and selective COX-2 inhibitors
  作者：Mohamed S. A. Elsayed、Siran Chang、Mark Cushman

  DOI：10.1039/c7ob02386c

  日期：——

  A similarity search and molecular modeling study suggested the 2′-aryl-2-arylbenzothiazole framework as a novel scaffold for the design of COX-2-selective inhibitors.

  一项相似性搜索和分子建模研究表明2'-芳基-2-芳基苯并噻唑骨架是设计COX-2选择性抑制剂的一种新型支架。
• New nitromethyl ketones, process for preparing them and compositions containing them
  申请人：Merck Patent GmbH

  公开号：US20030171422A1

  公开（公告）日：2003-09-11

  The present invention relates to the compounds of formula: 1 in which R 1 , R 2 , R 3 , E, A, X, Z, p and n are as defined herein. These compounds are aldose reductase inhibitors.

  本发明涉及公式1中的化合物：其中R1，R2，R3，E，A，X，Z，p和n的定义如本文所述。这些化合物是醛糖还原酶抑制剂。