4-(1-萘基)苯硼酸 | 870774-25-7

• 物质功能分类: 医药中间体 - OLED材料中间体
• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 4-(1-萘基)苯硼酸
• 中文别名: 1-(4-硼酸苯基)-萘；4-(1-萘基)苯基硼酸；4-（1-萘）苯硼酸
• 英文名称: (4-(naphthalen-1-yl)phenyl)boronic acid
• 英文别名: 4-(1-naphthyl)phenylboronic acid；4-(naphthalene-1-yl)phenylboronic acid；4-(1-naphthyl)benzeneboronic acid；4-(naphthalen-1-yl)benzeneboronic acid；4-(α-naphthyl)phenylboronic acid；(4-(1-naphthalene)phenyl)boronic acid；4-(1-naphthalenyl)phenylboronic acid；(4-(naphth-1-yl)phenyl)boronic acid；4-(Naphthalen-1-yl)phenylboronic acid；(4-naphthalen-1-ylphenyl)boronic acid
• CAS: 870774-25-7
• 化学式: C₁₆H₁₃BO₂
• mdl: MFCD08669639
• 分子量: 248.089
• InChiKey: BQHVXFQXTOIMQM-UHFFFAOYSA-N

物化性质

• 沸点：
  449.4±48.0 °C(Predicted)
• 密度：
  1.23±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)：
  4.33
• 重原子数：
  19
• 可旋转键数：
  2
• 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
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  室温

SDS

4-(1-Naphthyl)phenylboronic Acid (contains varying Revision number: 6
amounts of Anhydride)
SAFETY DATA SHEET

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Section 1. IDENTIFICATION
Product name: 4-(1-Naphthyl)phenylboronic Acid (contains varying amounts of Anhydride)

Revision number: 6

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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
4-(1-Naphthyl)phenylboronic Acid (contains varying amounts of Anhydride)
Components:
Percent: ....
870774-25-7
CAS Number:
Synonyms: 4-(1-Naphthyl)benzeneboronic Acid (contains varying amounts of Anhydride)
Chemical Formula: C16H13BO2

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Section 4. FIRST AID MEASURES
Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Inhalation:
Get medical advice/attention if you feel unwell.
4-(1-Naphthyl)phenylboronic Acid (contains
varying 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 - Slightly pale yellow
4-(1-Naphthyl)phenylboronic Acid (contains
varying 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
4-(1-Naphthyl)phenylboronic Acid (contains
varying 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

制备方法与用途

应用

4-(1-萘基)苯硼酸是一种酸类衍生物，可作为有机合成中的重要中间体。

反应信息

• 作为反应物：
  描述：

  4-(1-萘基)苯硼酸 在 碘 、 氧气 、 potassium carbonate 作用下， 以 PEG-400 为溶剂， 反应 48.0h， 以70%的产率得到1-苯基萘
  参考文献：
  名称：

  有氧条件下 PEG-400 中碘促进芳基硼酸的高效同源偶联

  摘要：

  在有氧条件下，碘能够在 PEG-400 中以中等至良好的产率催化芳基硼酸的均偶联。这种不含过渡金属的催化体系价格低廉，实用性强。值得注意的是，通过添加水，我们的催化系统可以在温和条件（100 °C）下保持高活性。（© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009）

  DOI：

  10.1002/ejoc.200900087
• 作为产物：
  描述：

  1-(4-溴苯基)萘 在 正丁基锂 、 硼酸三异丙酯 、 盐酸 作用下， 以 四氢呋喃 、 正己烷 、 水 为溶剂， 反应 20.0h， 以67%的产率得到4-(1-萘基)苯硼酸
  参考文献：
  名称：

  PHENANTHRENE DERIVATIVE, AND MATERIAL FOR ORGANIC EL ELEMENT

  摘要：

  一个菲的衍生物由下面的公式（1）表示。在公式（1）中，Ar1和Ar2分别代表含有6到18个碳原子形成环的芳香烃环基团。芳香烃环基团不包含蒽骨架、芘骨架、乙酰芘骨架和萘骨架。R1代表一个取代基，其数量可以是0、1或更多。R1可以连接在菲的骨架的任何位置。n和m分别代表1到3的整数。k代表0到8的整数。

  公开号：

  US20100331585A1

文献信息

• ANTHRACENE DERIVATIVE AND LIGHT-EMITTING DEVICES, ELECTRONIC DEVICES, AND LIGHTING DEVICE USING THE ANTHRACENE DERIVATIVE
  申请人：Ogita Kaori

  公开号：US20100099890A1

  公开（公告）日：2010-04-22

  An anthracene derivative is disclosed, and a light-emitting element, a light-emitting device, an electronic device, and a lighting device using the anthracene derivatives are demonstrated. The structure of the anthracene derivative is described in detail in the specification. The use of the anthracene derivative enables the production of a blue emissive light-emitting element having high emission efficiency, excellent purity of emission color, and a long lifetime, which contributes to the production of a high-performance light-emitting device, electronic device, and lighting device.

  揭示了一种蒽衍生物，并展示了使用该蒽衍生物的发光元件、发光装置、电子设备和照明装置。蒽衍生物的结构在说明书中被详细描述。使用蒽衍生物可以生产具有高发射效率、发射颜色纯度优异和长寿命的蓝色发光元件，有助于生产高性能的发光装置、电子设备和照明装置。
• 발광 화합물 및 이를 포함하는 유기전계발광소자
  申请人：SFC CO., LTD. 에스에프씨 주식회사(120060087061) Corp. No ▼ 135511-0105889BRN ▼134-81-54429

  公开号：KR101553561B1

  公开（公告）日：2015-09-17

  본 발명은 하기 식 (1)로 표시되는 발광 화합물 및 이를 포함하는 유기전계발광소자에 관한 것으로서, 본 발명에 따른 발광 화합물은 휘도가 우수하고, 장수명을 갖는 유기전계발광소자를 제공할 수 있다. (1)

  这项发明涉及标记为式（1）的发光化合物及包含该化合物的有机电致发光器件，根据本发明，所述发光化合物可以提供具有优异亮度和长寿命的有机电致发光器件。 (1)
• NAPHTHALENE DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME
  申请人：Kawamura Masahiro

  公开号：US20090008605A1

  公开（公告）日：2009-01-08

  A naphthalene derivative represented by the following formula (1) is provided. In the formula, Ar 1 to Ar 4 each represent an aromatic hydrocarbon cyclic group having 6 to 18 carbon atoms forming a ring. The aromatic hydrocarbon cyclic group has none of anthracene skeleton, pyrene skeleton, aceanthrylene skeleton and naphthacene skeleton. n, m and 1 each represent an integer in a range of 1 to 5. p represents an integer in a range of o to 5. When n, m, 1 and p each are 2 or more, a plurality of Ar 1 to Ar 4 may be mutually the same or different.

  提供以下公式（1）表示的萘衍生物。在该公式中，Ar1至Ar4分别表示具有6至18个碳原子形成环的芳香烃环族。芳香烃环族不包含蒽骨架、芘骨架、蒽芘骨架和萘芘骨架。n、m和l分别表示范围在1到5的整数。p表示范围在0到5的整数。当n、m、l和p均为2或更多时，Ar1至Ar4的多个可能相互相同或不同。
• Organometallic Complex, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device
  申请人：Inoue Hideko

  公开号：US20110245495A1

  公开（公告）日：2011-10-06

  An object is to provide a novel organometallic complex capable of emitting phosphorescence by using, as a ligand, an organic compound with which a variety of derivatives can be easily synthesized. Another object is to provide an organometallic complex having high heat resistance. Other objects are to provide a light-emitting element having high emission efficiency and to provide a light-emitting device, an electronic device, and a lighting device having reduced power consumption. Provided are an organometallic complex including a structure represented by the following General Formula (G1), and a light-emitting element, a light-emitting device, an electronic device, and a lighting device formed using the organometallic complex including the structure represented by the following General Formula (G1).

  提供一种新型有机金属配合物的目的是利用一种有机化合物作为配体，该有机化合物可以轻松合成各种衍生物，并且能够发射磷光。另一个目的是提供具有高耐热性的有机金属配合物。其他目的包括提供具有高发射效率的发光元件，以及提供具有降低功耗的发光装置、电子装置和照明装置。提供了一种包括以下一般式（G1）所代表的结构的有机金属配合物，以及使用包括以下一般式（G1）所代表的结构的有机金属配合物形成的发光元件、发光装置、电子装置和照明装置。
• ORGANIC COMPOUND, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE, AND LIGHTING DEVICE
  申请人：OSAKA Harue

  公开号：US20120077987A1

  公开（公告）日：2012-03-29

  A novel substance with which an increase in life and emission efficiency of a light-emitting element can be achieved is provided. A carbazole compound having a structure represented by General Formula (G1) is provided. Note that a substituent which makes the HOMO level and the LUMO level of a compound in which a bond of the substituent is substituted with hydrogen deep and shallow, respectively is used as each of substituents in General Formula (G1) (R 1 , R 2 , Ar 3 , and α 3 ). Further, a substituent which makes the band gap (Bg) and the T1 level of a compound in which a bond of the substituent is substituted with hydrogen wide and high is used as each of the substituents in General Formula (G1) (R 1 , R 2 , Ar 3 , and α 3 ).

  提供一种新型物质，可以实现发光元件寿命和发射效率的提高。提供一种具有通用式（G1）表示的结构的咔唑化合物。请注意，在通用式（G1）中，使取代基的HOMO能级和LUMO能级分别变深和变浅的取代基被用作每个取代基（R1、R2、Ar3和α3）。此外，在通用式（G1)中，使取代基的带隙（Bg）和T1能级分别变宽和变高的取代基被用作每个取代基（R1、R2、Ar3和α3）。