2-对三联苯硼酸 | 663954-31-2

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物 - 环羧酸
• 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-对三联苯硼酸
• 中文别名: 2-（4-联苯基）苯硼酸；2-(4-联苯基)苯硼酸；2-硼酸三联苯；2-(4'-联苯基)苯硼酸
• 英文名称: 2-p-terphenylboronic acid
• 英文别名: ([1,1':4',1''-terphenyl]-2-yl)boronic acid；[2-(4-phenylphenyl)phenyl]boronic acid
• CAS: 663954-31-2
• 化学式: C₁₈H₁₅BO₂
• 分子量: 274.127
• InChiKey: SNYOIUKSBGFPSV-UHFFFAOYSA-N

物化性质

• 沸点：
  522.6±53.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Predicted)
• 溶解度：
  溶于四氢呋喃

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2931900090

SDS

2-p-Terphenylboronic Acid (contains varying amounts Revision number: 5
of Anhydride)
SAFETY DATA SHEET

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Section 1. IDENTIFICATION
Product name: 2-p-Terphenylboronic Acid (contains varying amounts of Anhydride)

Revision number: 5

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Section 2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS Not classified
HEALTH HAZARDS
Skin corrosion/irritation Category 2
Category 2A
Serious eye damage/eye irritation
ENVIRONMENTAL HAZARDS Not classified
GHS label elements, including precautionary statements
Pictograms or hazard symbols
Warning
Signal word
Hazard statements Causes skin irritation
Causes serious eye irritation
Precautionary statements:
Wash hands thoroughly after handling.
[Prevention]
Wear protective gloves/eye protection/face protection.
IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
[Response]
if present and easy to do. Continue rinsing.
If eye irritation persists: Get medical advice/attention.
IF ON SKIN: Gently wash with plenty of soap and water.
If skin irritation occurs: Get medical advice/attention.
Take off contaminated clothing and wash before reuse.

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture: Substance
2-p-Terphenylboronic Acid (contains varying amounts of Anhydride)
Components:
Percent: ....
663954-31-2
CAS Number:
Chemical Formula: C18H15BO2

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Section 4. FIRST AID MEASURES
Inhalation: Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Get medical advice/attention if you feel unwell.
amounts of Anhydride)

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Section 4. FIRST AID MEASURES
Skin contact: Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
soap and water. If skin irritation or rash occurs: Get medical advice/attention.
Eye contact: Rinse cautiously with water for several minutes. Remove contact lenses, if present
and easy to do. Continue rinsing. If eye irritation persists: Get medical
advice/attention.
Ingestion: Get medical advice/attention if you feel unwell. Rinse mouth.
A rescuer should wear personal protective equipment, such as rubber gloves and air-
Protection of first-aiders:
tight goggles.

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Section 5. FIRE-FIGHTING MEASURES
Suitable extinguishing Dry chemical, foam, water spray, carbon dioxide.
media:
Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
from the chemical: generate poisonous fume.
Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
method according to the surrounding situation is used. Uninvolved persons should
evacuate to a safe place. In case of fire in the surroundings: Remove movable
containers if safe to do so.
Special protective When extinguishing fire, be sure to wear personal protective equipment.
equipment for firefighters:

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, Use personal protective equipment. Keep people away from and upwind of spill/leak.
protective equipment and Entry to non-involved personnel should be controlled around the leakage area by
emergency procedures: roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
up: appropriate laws and regulations.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Technical measures: Handling is performed in a well ventilated place. Wear suitable protective equipment.
Prevent dispersion of dust. Wash hands and face thoroughly after handling.
Use a local exhaust if dust or aerosol will be generated.
Advice on safe handling: Avoid contact with skin, eyes and clothing.
Conditions for safe storage, including any
incompatibilities
Storage conditions: Keep container tightly closed. Store in a cool and dark place.
Store away from incompatible materials such as oxidizing agents.
Packaging material: Comply with laws.

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Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Engineering controls: Install a closed system or local exhaust as possible so that workers should not be
exposed directly. Also install safety shower and eye bath.
Personal protective equipment
Respiratory protection: Dust respirator. Follow local and national regulations.
Hand protection: Protective gloves.
Safety glasses. A face-shield, if the situation requires.
Eye protection:
Skin and body protection: Protective clothing. Protective boots, if the situation requires.

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C): Solid
Crystal- Powder
Form:
Colour: White
amounts of Anhydride)

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Odour: No data available
pH: No data available
Melting point/freezing point:No data available
Boiling point/range: No data available
Flash point: No data available
Flammability or explosive
limits:
Lower: No data available
Upper: No data available
Relative density: No data available
Solubility(ies):
[Water] No data available
[Other solvents]
Soluble: Tetrahydrofuran(THF)

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Section 10. STABILITY AND REACTIVITY
Stable under proper conditions.
Chemical stability:
Possibility of hazardous No special reactivity has been reported.
reactions:
Incompatible materials: Oxidizing agents
Hazardous decomposition Carbon monoxide, Carbon dioxide, Boron oxides
products:

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Section 11. TOXICOLOGICAL INFORMATION
Acute Toxicity: No data available
Skin corrosion/irritation: No data available
Serious eye No data available
damage/irritation:
Germ cell mutagenicity: No data available
Carcinogenicity:
IARC = No data available
NTP = No data available
Reproductive toxicity: No data available

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Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: No data available
No data available
Crustacea:
Algae: No data available
Persistence / degradability: No data available
Bioaccumulative No data available
potential(BCF):
Mobility in soil
No data available
Log Pow:
Soil adsorption (Koc): No data available
No data available
Henry's Law
constant(PaM3/mol):

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Section 13. DISPOSAL CONSIDERATIONS
Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system.
Observe all federal, state and local regulations when disposing of the substance.

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Section 14. TRANSPORT INFORMATION
Does not correspond to the classification standard of the United Nations
Hazards Class:
UN-No: Not listed
amounts of Anhydride)

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Section 15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
loading and unloading were prescribed.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-对三联苯硼酸 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 四(三苯基膦)钯 、 三叔丁基膦 、 potassium acetate 、 potassium carbonate 、 三苯基膦 、 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 、 sodium t-butanolate 、 三环己基膦 作用下， 以 1,4-二氧六环 、 5,5-dimethyl-1,3-cyclohexadiene 、 水 、 N,N-二甲基甲酰胺 、 邻二氯苯 、 甲苯 为溶剂， 反应 75.0h， 生成 9-Phenyl-3-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)carbazole
  参考文献：
  名称：

  COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE

  摘要：

  公开了一种有机光电器件的化合物，其化学式表示为化学式1，一种用于有机光电器件的组合物，包括该组合物的有机光电器件，以及显示设备。化学式1的详细信息与规范中定义的相同。

  公开号：

  US20180090689A1
• 作为产物：
  描述：

  硼酸三甲酯 、 2’’-溴-[1,1’:4’,1’’]三联苯基 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 1.5h， 生成 2-对三联苯硼酸
  参考文献：
  名称：

  (2-芳基苯基)硼酸与炔烃的铑催化氧化环化：菲衍生物的选择性合成

  摘要：

  已经开发了铑催化的（2-芳基苯基）硼酸与炔烃的环状偶联，以方便地构建菲骨架。反应在没有外部碱的情况下进行，双氧作为末端氧化剂。氘标记实验表明五元红环中间体的参与。

  DOI：

  10.1055/s-0035-1561940

文献信息

• Design of Bowl‐Shaped <i>N</i> ‐Hydroxyimide Derivatives as New Organoradical Catalysts for Site‐Selective C(sp ³ )−H Bond Functionalization Reactions
  作者：Terumasa Kato、Keiji Maruoka

  DOI：10.1002/anie.202003982

  日期：2020.8.17

  A series of new bowl‐shaped N‐hydroxyimide derivatives has been designed and used as selective organoradical catalysts. A number of these bowl‐shaped N‐hydroxyimide derivatives exhibit excellent site‐selectivity in the amination of benzylic C(sp3)−H bonds in aromatic hydrocarbon substrates.

  已经设计了一系列新的碗形N-羟基酰亚胺衍生物，并将其用作选择性有机自由基催化剂。这些碗形N羟酰亚胺衍生物中的许多在芳烃底物中的苄基C（sp 3）-H键的胺化反应中表现出出色的位点选择性。
• Rh(III)-Catalyzed C–H Activation of Boronic Acid with Aryl Azide
  作者：Shiyang Xu、Baoliang Huang、Guanyu Qiao、Ziyue Huang、Zhen Zhang、Zongyang Li、Peng Wang、Zhenhua Zhang

  DOI：10.1021/acs.orglett.8b02247

  日期：2018.9.21

  A Rh(III)-catalyzed C–H activation of boronic acid with aryl azide to obtain unsymmetric carbazoles, 1H-indoles, or indolines has been developed. The reaction constructs dual distinct C–N bonds via sp2/sp3 C–H activation and rhodium nitrene insertion. Synthetically, this approach represents an access to widely used carbazole derivatives. The practical application to CBP and unsymmetric TCTA derivatives

  已开发出一种Rh（III）催化的芳基叠氮化物对硼酸的CHH活化，从而获得不对称的咔唑，1 H吲哚或二氢吲哚。该反应通过sp 2 / sp 3 C-H活化和铑氮烯插入构建了两个不同的C–N键。综合而言，这种方法代表了广泛使用咔唑衍生物的途径。还已经对CBP和不对称TCTA衍生物进行了实际应用。力学实验和DFT计算表明，五元rhodocycle物种是关键的中间体。
• 芘类衍生物有机电致发光材料及其制备方法和有机电致发光器件
  申请人：吉林奥来德光电材料股份有限公司

  公开号：CN107162869A

  公开（公告）日：2017-09-15

  本发明涉及一种芘类衍生物有机电致发光材料及其制备方法和有机电致发光器件，涉及发光材料领域。本发明提供的芘类衍生物有机电致发光材料具有高的电子传达效率，从而能够在制造器件时防止结晶，并能够很容易地形成层，由此改善了器件的电流特性。本发明提供的芘类衍生物有机电致发光材料的制备方法，原料易得，工艺简单，适合于工业化生产。本发明提供的有机电致发光器件可以用于多种电子机器中，例如壁挂式平板电视的平面板等平面发光体，复印机，打印机，液晶显示装置或者仪表等的光源，标牌，标识等。本发明中的芘类衍生物有机电致发光材料除了用于有机电致发光器件。还可用于电子照片感光体，光电转换元件，太阳能电池，图像传感器等领域。
• １，２−置換フェニル基を有するトリアジン化合物及びその用途
  申请人：東ソー株式会社

  公开号：JP2019001732A

  公开（公告）日：2019-01-10

  【課題】従来公知のトリアジン化合物に比べて、有機電界発光素子効率を顕著に向上させる特定のトリアジン化合物の提供。【解決手段】式（１）で示されるトリアジン化合物、及びこれを構成成分とする有機電界発光素子。（Ａｒ１及びＡｒ２は各々独立してＣ１〜４のアルキル基又はＦで置換／非置換のＣ６〜２０の単環、連結、若しくは縮環の芳香族炭化水素基）【選択図】図１

  提供一种特定的三嗪化合物，可以显著提高有机电致发光器件的效率，与传统已知的三嗪化合物相比。该三嗪化合物如下式（1）所示，并且可用作有机电致发光器件的构成成分。（其中Ar1和Ar2分别独立地表示取代/未取代的C1-4烷基或C6-20单环、连接或缩合的芳香族碳氢基）【选择图】图1
• 環状アジン化合物、及びその用途
  申请人：東ソー株式会社

  公开号：JP2017141216A

  公开（公告）日：2017-08-17

  【課題】耐熱性に優れ、有機電界発光素子の長寿命性、低電圧駆動性又は発光効率に優れる電子輸送材料又は正孔阻止材料の提供。【解決手段】式（１）で示される有機電界発光素子用材料。（Ｚは＝ＣＨ−又は＝Ｎ−；Ａｒ１及びＡｒ２は各々独立にフェニル基、ナフチル基又はビフェニリル基；Ｘ１及びＸ２は、各々独立にフェニレン基又はナフチレン基、Ａｒ３及びＡｒ４は各々独立にＣ１〜４のアルキル基又はフッ素原子で１つ以上置換／非置換のフェニル基）【選択図】図１

  提供耐热性优异、有机场效应发光器件的长寿命性、低电压驱动性或发光效率优异的电子输运材料或正孔阻止材料。根据式（1）所示的用于有机场效应发光器件的材料。（Z = CH-或=N-；Ar1和Ar2分别独立为苯基、萘基或联苯基；X1和X2分别独立为苯基或萘基，Ar3和Ar4分别独立为C1-4的烷基或氟原子，其中一个或多个苯基被取代/未取代）【选图】图1