4-(4,5-二苯基-1H-咪唑-2-基)苯甲酸 | 5496-35-5

• 物质功能分类: 医药中间体 - 杂环化合物 - 嘧啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 4-(4,5-二苯基-1H-咪唑-2-基)苯甲酸
• 中文别名: 4-(4,5-二苯基-1H-咪唑)苯甲酸
• 英文名称: 4-(4,5-diphenyl-1H-imidazol-2-yl)benzoic acid
• CAS: 5496-35-5
• 化学式: C₂₂H₁₆N₂O₂
• mdl: MFCD00999654
• 分子量: 340.381
• InChiKey: BCXPNUSETAZHEQ-UHFFFAOYSA-N

物化性质

• 沸点：
  596.9±38.0 °C(Predicted)
• 密度：
  1.263±0.06 g/cm3(Predicted)
• 稳定性/保质期：
  在常温常压下，该物质保持稳定。

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  66
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2933290090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

4-(4,5-Diphenyl-1H-imidazol-2-yl)benzoic Acid
SAFETY DATA SHEET

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Section 1. IDENTIFICATION
Product name: 4-(4,5-Diphenyl-1H-imidazol-2-yl)benzoic Acid

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Section 2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS Not classified
Not classified
HEALTH HAZARDS
ENVIRONMENTAL HAZARDS Not classified
GHS label elements, including precautionary statements
Pictograms or hazard symbols None
No signal word
Signal word
Hazard statements None
None
Precautionary statements:

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture: Substance
Components: 4-(4,5-Diphenyl-1H-imidazol-2-yl)benzoic Acid
Percent: >98.0%(LC)(T)
CAS Number: 5496-35-5
Chemical Formula: C22H16N2O2

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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.
Skin contact: Remove/Take off immediately all contaminated clothing. Rinse skin with
water/shower. 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.

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Section 5. FIRE-FIGHTING MEASURES
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
Use personal protective equipment. Keep people away from and upwind of spill/leak.
Personal precautions,
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
Handling is performed in a well ventilated place. Wear suitable protective equipment.
Technical measures:
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
Install a closed system or local exhaust as possible so that workers should not be
Engineering controls:
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.
Eye protection: Safety glasses. A face-shield, if the situation requires.
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
Form: Crystal- Powder
Colour: Very pale yellow - Pale yellow
Odour: No data available
pH: No data available
Melting point/freezing point:No data available
No data available
Boiling point/range:
Flash point: No data available
Flammability or explosive
limits:
No data available
Lower:
Upper: No data available
No data available
Relative density:
Solubility(ies):
No data available
[Water]
[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
Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx)
products:

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

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Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
No data available
Fish:
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
No data available
Soil adsorption (Koc):
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
Not listed
UN-No:

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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-氨基苯硫醇 、 4-(4,5-二苯基-1H-咪唑-2-基)苯甲酸 在 poly phosphoric acid 作用下， 反应 16.0h， 以64%的产率得到2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl]benzo[d]thiazole
  参考文献：
  名称：

  An efficient ICT based fluorescent turn-on dyad for selective detection of fluoride and carbon dioxide

  摘要：

  一种新的基于分子内电荷转移的荧光打开比色比探针，对F⁻和CO₂具有高灵敏度。

  DOI：

  10.1039/c5nj01920f
• 作为产物：
  描述：

  对醛基苯甲酸 、 联苯甲酰 在 copper(II) ferrite 、 ammonium acetate 作用下， 以 neat (no solvent) 为溶剂， 反应 0.4h， 以98%的产率得到4-(4,5-二苯基-1H-咪唑-2-基)苯甲酸
  参考文献：
  名称：

  纳米铜铁氧体的合成和表征作为无溶剂条件下一锅合成2,4,5-三取代和1,2,4,5-四取代的咪唑的可磁分离催化剂

  摘要：

  作者在本文中报道了纳米铜铁氧体的合成和表征，将其作为可回收，环保，廉价和易于获得的催化剂，用于高效，简单和绿色合成多取代的咪唑。该协议的优点是反应时间短，产率高，后处理容易和条件温和。催化剂可以重复使用而不会明显降低催化活性。催化剂的表征通过傅立叶变换红外光谱，X射线衍射，FESEM，电子弥散X射线和振动采样磁力计分析进行。

  DOI：

  10.1080/15533174.2016.1212223

文献信息

• Study on the synthesis and structure-effect relationship of multi-aryl imidazoles with their fluorescence properties
  作者：Mi Tian、Chao Wang、LiGong Wang、Kai Luo、An Zhao、CanCheng Guo

  DOI：10.1002/bio.2580

  日期：2014.8

  In this paper, 23 multi-aryl imidazole derivatives were synthesized and identified by nuclear magnetic resonance, ultraviolet-visible and elemental analysis. At the same time, their ultraviolet-visible maximum absorption (λabmax), fluorescence emission maximum (λemmax) and quantum yields (Фf) were measured. The relationships between the optical behaviors and structures for these compounds were assessed. The results show that the λmaxab and λmaxem are red-shifted and the fluorescence Фf are increased by the introduction of electron-withdrawing substituents and the increase in the planarity of multi-aryl imidazole molecules. The results also showed that the fluorescence quantum yields of the compounds containing two imidazole nuclei are double the corresponding mono-imidazole nucleus compounds. Copyright © 2013 John Wiley & Sons, Ltd.

  在本论文中，合成了23种多芳基咪唑衍生物并通过核磁共振、紫外-可见光谱和元素分析进行了鉴定。同时，测量了它们的紫外-可见最大吸收（λabmax）、荧光发射最大值（λemmax）和量子产率（Фf）。评估了这些化合物的光学行为与结构之间的关系。结果表明，通过引入吸电子取代基和增加多芳基咪唑分子的平面性，λmaxab和λmaxem发生红移，荧光Фf增加。结果还显示，含有两个咪唑核的化合物的荧光量子产率是对应的单咪唑核化合物的两倍。版权所有 © 2013 John Wiley & Sons, Ltd。
• Synthesis and characterization of nano-copper ferrite as a magnetically separable catalyst for the one-pot synthesis of 2,4,5-trisubstituted and 1,2,4,5-tetrasubstituted imidazoles under solvent-free condition
  作者：Firouzeh Nemati、Ali Elhampour、Mahshid Bagheri Natanzi

  DOI：10.1080/15533174.2016.1212223

  日期：2017.5.4

  The authors report herein, synthesis and characterization of nano-copper ferrite as a recoverable, eco-friendly, inexpensive, and readily available catalyst for efficient, simple, and green synthesis of multi-substituted imidazoles. Short reaction times, high yields, easy workup, and mild condition are the advantages of this protocol. The catalyst can be reused without evident loss of the catalytic

  作者在本文中报道了纳米铜铁氧体的合成和表征，将其作为可回收，环保，廉价和易于获得的催化剂，用于高效，简单和绿色合成多取代的咪唑。该协议的优点是反应时间短，产率高，后处理容易和条件温和。催化剂可以重复使用而不会明显降低催化活性。催化剂的表征通过傅立叶变换红外光谱，X射线衍射，FESEM，电子弥散X射线和振动采样磁力计分析进行。
• Crystal structures and solution spectroscopy of lophine derivatives
  作者：Natalya Fridman、Menahem Kaftory、Yoav Eichen、Shammai Speiser

  DOI：10.1016/j.molstruc.2008.07.003

  日期：2009.1

  Abstract Lophine (2,4,5-triphenylimidazole) derivatives were synthesized and their physicochemical properties were determined. Spectroscopic and fluorescence behavior of lophine derivatives in methanol at different pH and various solvents were presented. The observed spectroscopic features in the solution are determined by specific interactions of the NH hydrogen. These kinds of interactions are manifested

  摘要 合成了洛芬(2,4,5-三苯基咪唑)衍生物并测定了其理化性质。介绍了在不同 pH 值和各种溶剂下，洛啡因衍生物在甲醇中的光谱和荧光行为。溶液中观察到的光谱特征是由 NH 氢的特定相互作用决定的。这些类型的相互作用在固态和溶液中都表现出来。介绍和讨论了具有不同结晶溶剂的洛啡因衍生物的晶体和分子结构。在所有溶剂化物中，溶剂分子通过氢键连接主体分子。
• Intramolecular charge transfer ampholytes with water-induced pendulum-type fluorescence variation
  作者：Xiao-Bin Dong、Ling Chen、Mei Pan、Wen-Jie Huang、Hua Xiang、Hai-Ping Wang、Zong-Wen Mo、Jia-Wen Ye、Kun Zhang、Xiao-Ming Chen

  DOI：10.1039/d0cc03835k

  日期：——

  Triphenylimidazole-based ampholytes with intramolecular charge transfer were designed with the introduction of carboxyl groups. In solution, the synergistic solvent and ionization effects on the ampholytes led to a unique pendulum-type fluorescence variation during the water content increasing process. Among them, 4-(4,5-bis(4-hydroxyphenyl)-1H-imidazol-2-yl)benzoic acid showed the most prominent three-step

  通过引入羧基来设计具有分子内电荷转移的三苯基咪唑基两性电解质。在溶液中，在两性电解质上的协同溶剂和电离作用导致在水含量增加过程中独特的摆型荧光变化。其中，4-（4,5-双（4-羟苯基）-1 H-咪唑-2-基）苯甲酸显示出最突出的三步荧光转换特性。
• 一种荧光化合物及其制备方法与应用
  申请人：五邑大学

  公开号：CN111635361B

  公开（公告）日：2022-08-02

  本发明公开了一种荧光化合物及其制备方法与应用。本发明荧光有机化合物为4‑((4,5‑二苯基)‑1氢‑咪唑‑2‑基)苯甲酸、4‑(4,5‑双(4‑氟苯基)‑1氢‑咪唑‑2‑基)苯甲酸或4‑(4,5‑双(4‑羟基苯基)‑1氢‑咪唑‑2‑基)苯甲酸，其在有机溶剂中所发射的荧光随有机溶剂含水量的变化呈现钟摆型变化，能用于高效灵敏地检测有机溶剂的含水量；同时本发明荧光化合物还能分散在多孔介质中制成防伪材料。本发明荧光有机化合物通过一锅法即可制得，不仅制备方法简单，产率还很高。