1,3,5-三(4-甲氧基苯基)苯 | 7509-20-8

• 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: 1,3,5-三(4-甲氧基苯基)苯
• 英文名称: 1,3,5-tris(4-methoxyphenyl)benzene
• 英文别名: 1,3,5-tri(4-methoxyphenyl)benzene；4,4''-dimethoxy-5'-(4-methoxyphenyl)-1,1':3',1''-terphenyl
• CAS: 7509-20-8
• 化学式: C₂₇H₂₄O₃
• 分子量: 396.486
• InChiKey: QLHSLHOMBWKQMI-UHFFFAOYSA-N

物化性质

• 熔点：
  143-146 °C(lit.)
• 沸点：
  480.17°C (rough estimate)
• 密度：
  1.0800 (rough estimate)
• 稳定性/保质期：
  避免与不相容材料接触，与强氧化剂反应。

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 安全说明：
  S24/25
• 储存条件：
  密封保存，应储存在阴凉干燥的仓库中。

SDS

Name:	1 3 5-Tris(4-methoxyphenyl)benzene 99% Material Safety Data Sheet
Synonym:	None Known
CAS:	7509-20-8

Section 1 - Chemical Product MSDS Name:1 3 5-Tris(4-methoxyphenyl)benzene 99% Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
7509-20-8	1,3,5-Tris(4-methoxyphenyl)benzene	99%	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. May be harmful if inhaled.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid.
Skin:
In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse.
Ingestion:
If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 7509-20-8: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Crystalline powder
Color: light yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 143 - 146 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C27H24O3
Molecular Weight: 396.1662

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not currently available.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 7509-20-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1,3,5-Tris(4-methoxyphenyl)benzene - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 7509-20-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 7509-20-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 7509-20-8 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1,3,5-三(4-甲氧基苯基)苯 在 镍 作用下， 200.0 ℃ 、24.51 MPa 条件下， 生成 1,3,5-tris-(4-methoxy-cyclohexyl)-cyclohexane
  参考文献：
  名称：

  Hydrogenation and Hydrogenolysis of Ethers

  摘要：

  DOI：

  10.1021/ja01304a040
• 作为产物：
  描述：

  对甲氧基苯乙酮 在 三氟甲磺酸 作用下， 以 甲苯 为溶剂， 生成 1,3,5-三(4-甲氧基苯基)苯
  参考文献：
  名称：

  用于纳米光刻的具有高分辨率和高灵敏度的新型电子束分子抗蚀剂

  摘要：

  创建了一类新型的用于纳米光刻的化学放大电子束分子抗蚀剂。这些分子抗蚀剂在酸产生剂的存在下用作正抗蚀剂，表现出 2 μC cm - 2 的高灵敏度并能够制造 25 nm 线图案。

  DOI：

  10.1246/cl.2004.706

文献信息

• Strong Lewis Acids of Air-Stable Metallocene Bis(perfluorooctanesulfonate)s as High-Efficiency Catalysts for Carbonyl-Group Transformation Reactions
  作者：Renhua Qiu、Xinhua Xu、Lifeng Peng、Yalei Zhao、Ningbo Li、Shuangfeng Yin

  DOI：10.1002/chem.201103874

  日期：2012.5.14

  that 2 a and 2 b were thermally stable at 300 and 180 °C, respectively. These complexes exhibited unusually high solubility in polar organic solvents. Conductivity measurement showed that the complexes (2 a and 2 b) were ionic dissociation in CH3CN solution. X‐ray analysis result confirmed 2 a⋅3 H2O⋅THF was a cationic organometallic Lewis acid. UV/Vis spectra showed a significant red shift due to the

  强路易斯酸空气中稳定的金属茂双（全氟辛烷磺酸盐）S [M（CP）2 ] [OSO 2 C ^ 8 ˚F 17 ] 2 ⋅ Ñ ħ 2 O⋅THF（M = Zr的（2 ⋅3ħ 2 O⋅THF ），M =的Ti（图2b ⋅2ħ 2 O⋅THF））由[M（CP）的反应合成2 ]氯2（M = Zr的（1），M =的Ti（图1b）），与n BuLi和C 8 F 17 SO 3 H（2当量）或与C 8 F 17 SO 3Ag（2当量）。这些配合物的水合物数（n）是可变的，取决于条件从0变为4。与众所周知的茂金属三氟甲磺酸盐相反，这些络合物在露天环境中一年没有变化。热重-差示扫描量热（TG-DSC）分析表明，2和图2b分别为300和180℃，是热稳定的。这些配合物在极性有机溶剂中显示出异常高的溶解度。电导率测量表明，络合物（2a和2b）在CH 3 CN溶液中呈离子离解。X射线分析结果确认为2 a⋅3H
• H₆P₂W₁₈O₆₂/Nanoclinoptilolite as an efficient nanohybrid catalyst in the cyclotrimerization of aryl methyl ketones under solvent-free conditions
  作者：R. Tayebee、M. Jarrahi

  DOI：10.1039/c5ra01344e

  日期：——

  wide range of alkyl, aryl, and cyclic ketones. The nanocatalyst was prepared via immobilization of Wells–Dawson heteropolyacid H6P2W18O62 (HPA) on the surface of nanoclinoptilolite (NCP). The nanohybrid material was easily recovered and reused successfully at least seven times without significant loss of catalytic activity. XRD, SEM, UV-Vis, MS-ICP, DTA, and FT-IR studies confirmed that the heteropolyacid

  制备了一种新型的纳米杂化材料H 6 P 2 W 18 O 62 /纳米斜发沸石，并作为一种高效且可重复使用的催化剂，在不同的苯乙酮的温和单锅缩合反应中使用。本方法学的操作简便，易于后处理，具有成本效益和无溶剂的性质，可从多种烷基，芳基和环状物中得到所需的1,3,5-三芳基苯酮。通过固定Wells-Dawson杂多酸H 6 P 2 W 18 O 62制备纳米催化剂（HPA）在纳米斜发沸石（NCP）的表面上。纳米混合材料易于回收并成功重复使用至少七次，而催化活性没有明显损失。XRD，SEM，UV-Vis，MS-ICP，DTA和FT-IR研究证实，杂多酸很好地分散在NCP的表面上。开发的该方案是一种利用生态友好且高度可重复使用的天然纳米催化剂合成1,3,5-三芳基苯的安全便捷的替代方法。此外，水是唯一的副产物，这使得本方法学对环境无害。
• PTSA-catalyzed green synthesis of 1,3,5-triarylbenzene under solvent-free conditions
  作者：Yanan Zhao、Jian Li、Chunju Li、Kun Yin、Dongyan Ye、Xueshun Jia

  DOI：10.1039/c0gc00158a

  日期：——

  An economical and green conversion of acetophenones into 1,3,5-triarylbenzenes catalyzed by PTSA is described. The present method is facile and chemo-selective without using any metal catalyst or solvent.

  本文描述了一种由PTSA催化将乙酰苯转化为1,3,5-三芳基苯的经济环保方法。该方法简便、化学选择性高，无需使用任何金属催化剂或溶剂。
• Star- and Banana-Shaped Oligomers with a Pyrimidine Core: Synthesis and Light-Emitting Properties
  作者：Sylvain Achelle、Yvan Ramondenc、Francis Marsais、Nelly Plé

  DOI：10.1002/ejoc.200800139

  日期：2008.6

  reactions we have synthesised a series of star- and banana-shaped oligomers with a pyrimidine unit as the central core and π-conjugated arms consisting of aromatics bearing electron-donor substituents. The position of the arms as well as the nature of their substituents were investigated with a view to accessing compounds that exhibit interesting light-emitting properties. The best fluorescence quantum yields

  通过使用 Suzuki-Miyaura 交叉偶联反应，我们合成了一系列星形和香蕉形低聚物，以嘧啶单元为中心核，π 共轭臂由带有电子给体取代基的芳烃组成。研究了臂的位置及其取代基的性质，以期获得具有有趣发光特性的化合物。用对-(二甲氨基)苯基或2-呋喃基取代的香蕉形嘧啶获得最佳荧光量子产率。以苯、嘧啶或s-三嗪为中心单元的低聚物的光学性质的比较表明，嘧啶化合物给出了最好的结果。一些合成的低聚物表现出溶剂化变色特性和 pH 敏感性，
• 一种含咔唑单元的化合物及其用途
  申请人：河北师范大学

  公开号：CN107915753B

  公开（公告）日：2020-09-15

  本发明公开了一种含咔唑单元的化合物及其用途。所说的咔唑化合物具有式(I)所示结构：式(I)中：R1为C1～C12烃基或C1～C12烷氧基；R2为C1～C12烃基；R3为苯基；R4为噻吩基。本发明所说的咔唑类化合物，可用作钙钛矿太阳电池、有机小分子太阳电池、电致发光器件等光电器件中的空穴传输材料。