1,4-二甲基-2,5-二苯基苯 | 20260-22-4

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 芳香烃
• 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: 1,4-二甲基-2,5-二苯基苯
• 中文别名: 1,4-二甲基-2,5-二苯苯；2',5'-二甲基-1,1'：4',1''-三联苯
• 英文名称: 2',5'-dimethyl-[1,1':4',1'']terphenyl
• 英文别名: 2',5'-dimethyl-1,1':4',1''-terphenyl；1,4-diphenyl-2,5-dimethylbenzene；2',5'-dimethyl-p-terphenyl；2,5-diphenyl-p-xylene；2',5'-Dimethyl-p-terphenyl；2,5-diphenylxylene；1,4-Dimethyl-2,5-diphenylbenzene
• CAS: 20260-22-4
• 化学式: C₂₀H₁₈
• 分子量: 258.363
• InChiKey: TUSIRMATSRRTEJ-UHFFFAOYSA-N

物化性质

• 熔点：
  182-184 °C
• 沸点：
  376.6±37.0 °C(Predicted)
• 密度：
  1.022±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 海关编码：
  2902909090

SDS

Material Safety Data Sheet

---

Section 1. Identification of the substance
Product Name: 1,4-Dimethyl-2,5-diphenylbenzene
Synonyms:

---

Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

---

Section 3. Composition/information on ingredients.
Ingredient name: 1,4-Dimethyl-2,5-diphenylbenzene
CAS number: 20260-22-4

---

Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

---

Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

---

Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

---

Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

---

Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

---

Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C20H18
Molecular weight: 258.4

---

Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide.

---

Section 11. Toxicological information
No data.

---

Section 12. Ecological information
No data.

---

Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

---

Section 14. Transportation information
Non-harzardous for air and ground transportation.

---

Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1,4-二甲基-2,5-二苯基苯 在 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 作用下， 以 四氯化碳 为溶剂， 反应 2.0h， 以60%的产率得到2',5'-bis(bromomethyl)-1,1':4',1''-terphenyl
  参考文献：
  名称：

  Czuchajowski, Leszek; Zemanek, Aleksander, Polish Journal of Chemistry, 1990, vol. 64, # 7, p. 499 - 504

  摘要：

  DOI：
• 作为产物：
  描述：

  2,5-dicyclohexyl-p-xylene 在 palladium on activated charcoal 作用下， 生成 1,4-二甲基-2,5-二苯基苯
  参考文献：
  名称：

  芴和芴。Inder-fluorenreihe中的合成物。二。内-顺-氟烯联苯胺（Indeno-（2'，1'：1,2）-芴）和反式氟尿烯cen烯（Indeno-（1'，2'：2,3）-芴

  摘要：

  Es wird ein Verfahren zum doppelten Ringschluss des3,6-Diphenyl-phtalsäureanhydridszum酮英-（2'，1'：1,2）-芴和异氰酸酯还原Zum Indeno-（2'，1'：1，2） -氟（endo-cis-Fluorenaphen VII）Angegeben。

  DOI：

  10.1002/hlca.19510340736

文献信息

• Oxidative Mechanochemistry: Direct, Room-Temperature, Solvent-Free Conversion of Palladium and Gold Metals into Soluble Salts and Coordination Complexes
  作者：Jean-Louis Do、Davin Tan、Tomislav Friščić

  DOI：10.1002/anie.201712602

  日期：2018.3.1

  Noble metals are valued, critical elements whose chemical activation or recycling is challenging, and traditionally requires high temperatures, strong acids or bases, or aggressive complexation agents. By using elementary palladium and gold, demonstrated here is the use of mechanochemistry for noble‐metal activation and recycling by mild, clean, solvent‐free, and room‐temperature chemistry. The process

  贵重金属是重要的关键元素，其化学活化或循环利用具有挑战性，并且传统上需要高温，强酸或强碱或侵蚀性络合剂。通过使用元素钯和金，此处证明了通过温和，清洁，无溶剂和室温化学作用将机械化学用于贵金属活化和回收。该过程可将包括废催化剂在内的金属直接，高效，一锅转换为简单的水溶性盐或金属有机催化剂。
• Palladium–benzimidazolium salt catalyst systems for Suzuki coupling: development of a practical and highly active palladium catalyst system for coupling of aromatic halides with arylboronic acids
  作者：Wen Huang、Jianping Guo、Yuanjing Xiao、Miaofen Zhu、Gang Zou、Jie Tang

  DOI：10.1016/j.tet.2005.06.060

  日期：2005.10

  be as low as 0.0001 mol% and 0.01–0.1 mol% for iodide and bromide substrates, respectively. The coupling of unactivated aromatic chlorides with arylboronic acids also gave good results using Cs2CO3 as base with a 2 mol% palladium loading. The electronic factors from aromatic halides exert a significant influence on the Suzuki coupling catalyzed by the PdCl2–2 system while the electronic effect from

  钯-苯并咪唑盐催化剂体系已针对Suzuki偶联进行了研究。对于来自钯-咪唑鎓盐类似物的苯并咪唑鎓盐中的氮取代基，尚未发现不同的取代作用。已经确定了实用且高活性的钯催化剂体系PdCl 2 / N，N'-二苄基苯并咪唑鎓氯化物2用于芳族卤化物与芳基硼酸的Suzuki偶联。各种芳族卤化物与芳基硼酸与PdCl 2 – 2的偶联催化剂体系获得了良好的优异收率。对于碘化物和溴化物底物，钯的有效载量可能分别低至0.0001 mol％和0.01-0.1 mol％。未活化的芳族氯化物与芳基硼酸的偶合也以使用Cs 2 CO 3为碱，钯含量为2mol％的情况给出了良好的结果。从芳族卤化物的电子因素施加在铃木一个显著影响通过的PdCl联接器催化2 - 2系统而来自芳基的对应电子效应是可忽略的。芳香族卤化物与适度的空间位阻也可以与使用的PdCl苯基硼酸情侣平稳2 - 2催化剂体系。
• Catalytic Direct Cross-Coupling of Organolithium Compounds with Aryl Chlorides
  作者：Valentín Hornillos、Massimo Giannerini、Carlos Vila、Martín Fañanás-Mastral、Ben L. Feringa

  DOI：10.1021/ol402408v

  日期：2013.10.4

  Palladium-catalyzed direct cross-coupling of aryl chlorides with a wide range of (hetero)aryl lithium compounds is reported. The use of Pd-PEPPSI-IPent or Pd2(dba)3/XPhos as the catalyst allows for the preparation of biaryl and heterobiaryl compounds in high yields under mild conditions (room temperature to 40 °C) with short reaction times.

  据报道，钯催化的芳基氯化物与多种（杂）芳基锂化合物的直接交叉偶联。通过使用Pd-PEPPSI-IPent或Pd 2（dba）3 / XPhos作为催化剂，可以在温和的条件下（室温至40°C）以较短的反应时间高产率地制备联芳基和杂联芳基化合物。
• Planarity of terphenyl rings possessing <i>o</i>-carborane cages: turning on intramolecular-charge-transfer-based emission
  作者：Hyunhee So、Jea Ho Kim、Ji Hye Lee、Hyonseok Hwang、Duk Keun An、Kang Mun Lee

  DOI：10.1039/c9cc07729d

  日期：——

  To clarify the relationship between planarity and intramolecular charge transfer (ICT), two o-carboranyl compounds (TCB and FCB) containing different ortho-type terphenyl rings, namely, perfectly distorted or planar phenyl rings, were synthesised and fully characterised. Although the emission spectra of both compounds presented intriguing dual-emission patterns in solution at 298 or 77 K and in the

  为了阐明平面度和分子内电荷转移（ICT）之间的关系，合成了两个具有完全异形或平面苯环的邻位三联苯环的邻邻碳烷基化合物（TCB和FCB）。尽管两种化合物的发射光谱在298或77 K的溶液中均处于薄膜状态并呈现出有趣的双发射模式，但扭曲的TCB大多显示出局部激发发射，而平面FCB则显示出与ICT跃迁相对应的强发射。有趣的是，基于三联苯的邻苯二甲醛的发射效率和辐射衰减常数通过增加三联苯基的平面度，逐渐增强了-碳硼烷基化合物。这些结果证明了在邻-甲硼烷取代的化合物中，附加的芳基的平面度与基于ICT的辐射衰减之间存在很强的关系。
• ELECTROLUMINESCENT COMPOUNDS WITH HIGH EFFICIENCY AND ORGANIC LIGHT-EMITTING DIODE USING THE SAME
  申请人：Shin Hyo Nim

  公开号：US20110152587A1

  公开（公告）日：2011-06-23

  The present invention relates to novel organic electroluminescent compounds and an organic light-emitting diode comprising the same. The organic electroluminescent compounds according to the present invention exhibit high luminous efficiency and excellent life property as a material, so that an OLED device having very good operation life can be prepared therefrom.

  本发明涉及新型有机电致发光化合物以及包括这些化合物的有机发光二极管。根据本发明的有机电致发光化合物表现出高发光效率和优异的寿命特性作为材料，因此可以制备具有非常良好运行寿命的OLED器件。