4-乙炔基三苯胺 | 205877-26-5

• 物质功能分类: 有机原料 - 氨基化合物
• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 4-乙炔基三苯胺
• 中文别名: 4-二苯基胺苯乙炔
• 英文名称: 4-diphenylaminophenylacetylene
• 英文别名: 4-ethynyl-N,N-diphenylaniline；4-ethynyltriphenylamine；(4-ethynylphenyl)diphenylamine；N,N-diphenyl-4-ethynylaniline；N-(4-ethynylphenyl)-N-phenylbenzenamine；4-(N,N-diphenyl)aminophenylacetylene；p-(diphenylaminophenyl)acetylene；diphenyl(4-ethynylphenyl)amine
• CAS: 205877-26-5
• 化学式: C₂₀H₁₅N
• 分子量: 269.346
• InChiKey: QDYFCLVSLUZDHB-UHFFFAOYSA-N

物化性质

• 熔点：
  109.0 to 113.0 °C
• 沸点：
  406.6±28.0 °C(Predicted)
• 密度：
  1.15±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  室温且干燥环境下使用。

SDS

4-Ethynyltriphenylamine Revision number: 5
SAFETY DATA SHEET

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Section 1. IDENTIFICATION
Product name: 4-Ethynyltriphenylamine

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
Signal word Warning
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
Components: 4-Ethynyltriphenylamine
Percent: >98.0%(LC)(N)
CAS Number: 205877-26-5
Synonyms: 4-Diphenylaminophenylacetylene
C20H15N
Chemical Formula:

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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.
4-Ethynyltriphenylamine

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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: Slightly pale yellow - Yellow
No data available
Odour:
4-Ethynyltriphenylamine

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
pH: No data available
Melting point/freezing point:111°C
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] No data available

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Section 10. STABILITY AND REACTIVITY
Chemical stability: Stable under proper conditions.
Possibility of hazardous No special reactivity has been reported.
reactions:
Incompatible materials: Oxidizing agents, Heavy metals
Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx)
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:
No data available
IARC =
NTP = No data available
Reproductive toxicity: No data available

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Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: No data available
Crustacea: No data available
Algae: No data available
Persistence / degradability: No data available
Bioaccumulative No data available
potential(BCF):
Mobility in soil
Log Pow: No data available
Soil adsorption (Koc): No data available
Henry's Law No data available
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
Hazards Class: Does not correspond to the classification standard of the United Nations
UN-No: Not listed
4-Ethynyltriphenylamine

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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：

  4-乙炔基三苯胺 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 、 三氟乙酸 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 9.0h， 生成 4-((4-triphenylamino)ethynyl)benzaldehyde
  参考文献：
  名称：

  유기전계 발광층 재료용 붕소 착화합물, 이의 제조방법 및 이를 포함하는 유기전계 발광다이오드

  摘要：

  本发明涉及用于有机电致发光层材料的硼掺杂化合物、其制备方法以及包含该硼掺杂化合物的有机电致发光二极管。由于本发明的硼掺杂化合物在光学性质方面表现出优异的热稳定性、色纯度和发光效率，因此可以非常有效地用作OLED器件中发光层的红色电子传输层。

  公开号：

  KR101521483B1
• 作为产物：
  描述：

  4-溴三苯胺 在 甲醇 、 copper(l) iodide 、 四(三苯基膦)钯 、 potassium carbonate 、 二异丙胺 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 15.0h， 生成 4-乙炔基三苯胺
  参考文献：
  名称：

  炔烃供体-π-供体-π-供体支架在电致变色和电致变色中的适用性

  摘要：

  研究了一系列由芳香核组成的电活性材料，该芳香核与两个炔烃共轭，侧翼有两个三苯胺，作为电致色素和电致荧光色素进行了研究。黄色的共轭供体-π-供体-π-供体（D-π-D-π-D）炔烃由于末端三苯胺可以被电化学氧化。氧化电位变化 170 mV，取决于中心芳香核（噻吩和 EDOT）以及电活性基团是未取代还是在 4,4'-位被甲基取代。发色团的发射也取决于溶剂，它跨越了 90 nm 以上。排放量是一致的（ca.40%），它对芳核的类型、三苯胺取代和溶剂不敏感。D-π-D-π-D 化合物的集体可见颜色和电活性是电致变色应用的理想特性。在施加的电位下，这些化合物经历了从黄色到蓝色的可逆颜色变化。由 D-π-D-π-D 炔烃制成的电致变色器件可以运行 15 小时以上，并且还可以制备灵活的运行器件。D-π-D-π-D 化合物的本征荧光可以在施加的电位下可逆地关闭，这使得它们能够用于操作电致变色器件。尽管炔烃

  DOI：

  10.1039/d1tc03388c

文献信息

• COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE
  申请人：SAMSUNG SDI CO., LTD.

  公开号：US20210269445A1

  公开（公告）日：2021-09-02

  The present invention relates to a compound for an organic optoelectronic device, represented by Chemical Formula 1; a composition for an organic optoelectronic device, including same; an organic optoelectronic device; and a display device. The description of Chemical Formula 1 is the same as that defined in the specification.

  本发明涉及一种用于有机光电器件的化合物，其化学式为1；包括该化合物的用于有机光电器件的组合物；一种有机光电器件；以及一种显示装置。化学式1的描述与规范中定义的相同。
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  DOI：10.1002/chem.202000252

  日期：2020.5.4

  Click chemistry focuses on the development of highly selective reactions using simple precursors for the exquisite synthesis of molecules. Undisputedly, the CuI -catalyzed azide-alkyne cycloaddition (CuAAC) is one of the most valuable examples of click chemistry, but it suffers from some limitations as it requires additional reducing agents and ligands as well as cytotoxic copper. Here, we demonstrate

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  作者：Marina Nogami、Keiichi Hirano、Kensuke Morimoto、Masaru Tanioka、Kazunori Miyamoto、Atsuya Muranaka、Masanobu Uchiyama

  DOI：10.1021/acs.orglett.9b01132

  日期：2019.5.3

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  报道了通过炔基酰胺的炔基硼化反应获得的空前的含硼荧光团，π-扩展的顺式-sti。含硼的π扩展的顺式-斯蒂苯二酚在固态下发出具有高量子产率的荧光，并表现出聚集诱导的发射增强。炔基硼化反应的广泛底物范围提供了对电子多样化结构的便捷访问，从而可以微调光吸收/发射特性。具有二苯基氨基的含硼的π-延伸的顺式-sti通过分子内的电荷转移跃迁显示出溶剂化荧光变色。
• Benzo[<i>c</i>][1,2,5]thiadiazole Donor–Acceptor Dyes: A Synthetic, Spectroscopic, and Computational Study
  作者：Jonathan E. Barnsley、Georgina E. Shillito、Christopher B. Larsen、Holly van der Salm、Lei E. Wang、Nigel T. Lucas、Keith C. Gordon

  DOI：10.1021/acs.jpca.6b00447

  日期：2016.3.24

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• Custom-Made Pyrene Photocatalyst-Promoted Desulfonylation of Arylethenyl Sulfones Using Green-Light-Emitting Diodes
  作者：Akihiro Orita、Hikaru Watanabe、Kazuki Nakajima、Kento Ekuni、Ryota Edagawa、Yuta Akagi、Yasuhiro Okuda、Kan Wakamatsu

  DOI：10.1055/s-0040-1706025

  日期：2021.9

  3,6,8-tetrabromopyrene with 4-[(–)-β-citronellyloxy]phenylethyne was employed to synthesize 1,3,6,8-tetra[4-(citronellyloxy)phenylethynyl]pyrene. The pyrene derivative catalyzed the reductive desulfonylation of ethenyl sulfones via visible-light irradiation (514 nm green light-emitting diodes) in the presence of i-Pr2NEt. The β-citronellyloxy groups provided the sufficient solubility to the highly

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