3-氯-2-羟基苯硼酸 | 951655-50-8

• 物质功能分类: 化学试剂 - 有机试剂 - 硼酸
• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 3-氯-2-羟基苯硼酸
• 中文别名: 3-氯-2-羟基苯基硼酸
• 英文名称: (3-chloro-2-hydroxyphenyl)boronic acid
• 英文别名: 3-Chloro-2-hydroxyphenylboronic acid
• CAS: 951655-50-8
• 化学式: C₆H₆BClO₃
• mdl: MFCD08689551
• 分子量: 172.376
• InChiKey: UCAKTFSAEMHJJE-UHFFFAOYSA-N

物化性质

• 沸点：
  338.8±52.0 °C(Predicted)
• 密度：
  1.49±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.87
• 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：
  60.7
• 氢给体数：
  3
• 氢受体数：
  3

安全信息

• 海关编码：
  2931900090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Chloro-2-hydroxyphenylboronic 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: 3-Chloro-2-hydroxyphenylboronic acid
CAS number: 951655-50-8

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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: C6H6BClO3
Molecular weight: 172.4

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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, hydrogen chloride.

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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：

  3-氯-2-羟基苯硼酸 在 四(三苯基膦)钯 、 potassium carbonate 作用下， 以 N-甲基吡咯烷酮 、 乙醇 、 水 、 甲苯 为溶剂， 生成
  参考文献：
  名称：

  一种有机化合物以及使用其的电子元件和电子装置

  摘要：

  本申请属于有机材料领域，涉及一种有机化合物以及使用其的电子元件和电子装置，所述有机化合物具有如化学式I所示的结构，所述有机化合物应用于有机电致发光器件中，可显著改善器件的性能。

  公开号：

  CN113773290B
• 作为产物：
  描述：

  3-氯-2-甲氧基苯硼酸 在 三溴化硼 、 甲醇 作用下， 以 二氯甲烷 为溶剂， 生成 3-氯-2-羟基苯硼酸
  参考文献：
  名称：

  铃木-宫浦交叉偶联的新型高效一步一步平行合成二苯并吡喃酮

  摘要：

  描述了通过微波促进的新型有效的一步苯并吡喃酮和杂环类似物通过Suzuki-Miyaura交叉偶联反应从溴代芳基羧酸盐和邻-羟基芳基硼酸平行合成的方法。自发的内酯化以良好或优异的产率得到了在两个芳族环上带有给电子和吸电子基团的二苯并吡喃酮和杂环类似物。

  DOI：

  10.1021/cc100068a

文献信息

• [EN] DIACYLGLYCEROL KINASE MODULATING COMPOUNDS<br/>[FR] COMPOSÉS MODULANT LA DIACYLGLYCÉROL KINASE
  申请人：CARNA BIOSCIENCES INC

  公开号：WO2021130638A1

  公开（公告）日：2021-07-01

  The present disclosure provides diacylglycerol kinase modulating compounds, and pharmaceutical compositions thereof, for treating cancer, including solid tumors, and viral infections, such as HIV or hepatitis B virus infection. The compounds can be used alone or in combination with other agents.

  本公开提供了调节二酰基甘油激酶的化合物以及用于治疗癌症（包括实体瘤）和病毒感染（如HIV或乙型肝炎病毒感染）的药物组合物。这些化合物可以单独使用或与其他药物联合使用。
• Synthesis of a 2(1<i>H</i>)-Pyridone Library via Rhodium-Catalyzed Formation of Isomunchones
  作者：Subhasis De、Lu Chen、Shuxing Zhang、Scott R. Gilbertson

  DOI：10.1021/co400067q

  日期：2013.7.8

  Through the use of the dipolar cycloaddition of isomunchones with olefins the 2(1H)-pyridone ring system has been synthesized.(1) The use of different cyclization partners followed by diversification of the initial scaffold has provded libraries of 4-hydroxy-2(1H)-pyridones. There are no examples of this ring system in either PubChem or the MLSMR

  通过异丁烯与烯烃的偶极环加成反应，合成了2（1 H）-吡啶酮环系统。（1）使用不同的环化配偶体，随后使初始支架多样化，提供了4-hydroxy-2库（1 H）-吡啶酮。PubChem或MLSMR中都没有此环系统的示例
• Soluble Guanylate Cyclase Activators
  申请人：Kim Ronald M.

  公开号：US20100216764A1

  公开（公告）日：2010-08-26

  This inventions relates to compounds having the structure Formula I and pharmaceutically acceptable salts thereof which are soluble guanylate cyclase activators. The compounds are useful for treatment or prevention of cardiovascular diseases, endothelial dysfunction, diastolic dysfunction, atherosclerosis, hypertension, pulmonary hypertension, angina pectoris, thromboses, restenosis, myocardial infarction, strokes, cardiac insufficiency, pulmonary hypertonia, erectile dysfunction, asthma bronchiale, chronic kidney insufficiency, diabetes, or cirrhosis of the liver.

  该发明涉及具有结构式I的化合物及其药用可接受的盐，这些化合物是可溶性鸟苷酸环化酶激活剂。这些化合物可用于治疗或预防心血管疾病、内皮功能障碍、舒张功能障碍、动脉粥样硬化、高血压、肺动脉高压、心绞痛、血栓形成、再狭窄、心肌梗死、中风、心力衰竭、肺动脉高压、勃起功能障碍、支气管哮喘、慢性肾功能不全、糖尿病或肝硬化的治疗。
• Iridium Complexes With Aza-Benzo Fused Ligands
  申请人：UNIVERSAL DISPLAY CORPORATION

  公开号：US20140131663A1

  公开（公告）日：2014-05-15

  Novel iridium complexes containing phenylpyridine and pyridyl aza-benzo fused ligands are described. These complexes are useful as light emitters when incorporated into OLEDs.

  本文描述了含有苯基吡啶和吡啶氮杂苯融合配体的新型铱配合物。这些配合物在被应用于有机发光二极管(OLEDs)时具有良好的光发射性能。
• IRIDIUM COMPLEXES WITH AZA-BENZO FUSED LIGANDS
  申请人：Beers Scott

  公开号：US20140131676A1

  公开（公告）日：2014-05-15

  Novel iridium complexes containing phenylpyridine and pyridyl aza-benzo fused ligands are described. These complexes are useful as light emitters when incorporated into OLEDs.

  本文介绍了含有苯基吡啶和吡啶氮杂苯并配体的新型铱配合物。当这些配合物被加入到有机发光二极管（OLEDs）中时，它们可以用作光发射剂。