4,4''-二碘对三联苯 | 19053-14-6

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 烃类卤化物
• 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: 4,4''-二碘对三联苯
• 中文别名: 4,4'-二碘三联苯；4,4’-二碘三联苯；4,4-二碘代-对-三联苯；4,4-二碘三联苯；4,4''-二碘-p-三联苯；4,4'-二碘代-对-三联苯
• 英文名称: 4,4''-diiodo-1,1':4',1''-terphenyl
• 英文别名: 4,4''-diiodo-p-terphenyl；4,4"-diiodo-p-terphenyl；4,4''-diiodoterphenyl；4,4”-diiodo-1,1’: 4’,1”-terphenyl；1,4-bis(4-iodophenyl)benzene
• CAS: 19053-14-6
• 化学式: C₁₈H₁₂I₂
• mdl: MFCD00420295
• 分子量: 482.102
• InChiKey: QGMMWGLDOBFHTL-UHFFFAOYSA-N

物化性质

• 熔点：
  328 °C
• 沸点：
  500.6±43.0 °C(Predicted)
• 密度：
  1.825±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 危险等级：
  9
• 危险品运输编号：
  UN 3152 9/PG II
• 海关编码：
  2903999090
• 包装等级：
  II
• 危险类别：
  9

SDS

4,4''-Diiodo-p-terphenyl Revision number: 6
SAFETY DATA SHEET

---

Section 1. IDENTIFICATION
Product name: 4,4''-Diiodo-p-terphenyl

Revision number: 6

---

Section 2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS Not classified
HEALTH HAZARDS
Serious eye damage/eye irritation Category 1
ENVIRONMENTAL HAZARDS
Acute aquatic hazard Category 1
Category 1
Long-term aquatic hazard
GHS label elements, including precautionary statements
Pictograms or hazard symbols
Signal word Danger
Hazard statements Causes serious eye damage
Very toxic to aquatic life
Very toxic to aquatic life with long lasting effects
Precautionary statements:
Avoid release to the environment.
[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.
Immediately call a POISON CENTER or doctor/physician.
Collect spillage.
Dispose of contents/container through a waste management company authorized by
[Disposal]
the local government.

---

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture: Substance
Components: 4,4''-Diiodo-p-terphenyl
Percent: >98.0%(GC)
CAS Number: 19053-14-6
Chemical Formula: C18H12I2
4,4''-Diiodo-p-terphenyl

---

Section 4. FIRST AID MEASURES
Inhalation: Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Immediately call a POISON CENTER or doctor/physician.
Skin contact: Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
soap and water. Immediately call a POISON CENTER or doctor/physician.
Eye contact: Rinse cautiously with water for several minutes. Remove contact lenses, if present
and easy to do. Continue rinsing.Immediately call a POISON CENTER or
doctor/physician.
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.

---

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:

---

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: Be careful not to let it flow into rivers, etc., since adverse effects on the environment
are concerned.
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.

---

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.

---

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.
Protective gloves.
Hand protection:
Eye protection: Safety glasses. A face-shield, if the situation requires.
Skin and body protection: Protective clothing. Protective boots, if the situation requires.

---

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C): Solid
4,4''-Diiodo-p-terphenyl

---

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Form: Crystal- Powder
Colour: Very pale yellow - Pale yellow green
Odour: No data available
pH: No data available
Melting point/freezing point:328°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

---

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, Hydrogen Iodide
products:

---

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

---

Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
No data available
Fish:
Crustacea: No data available
No data available
Algae:
Persistence / degradability: No data available
No data available
Bioaccumulative
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):

---

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.

---

Section 14. TRANSPORT INFORMATION
Hazards Class: 9: Miscellaneous dangerous goods.
4,4''-Diiodo-p-terphenyl

---

Section 14. TRANSPORT INFORMATION
UN-No: 3152
Packing group: II
Marine pollutant Y

---

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.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

4,4'-二碘三联苯可用作有机合成中间体和医药中间体，主要应用于实验室研发和化工生产过程。其用途包括：

• 医药中间体

反应信息

• 作为反应物：
  描述：

  4,4''-二碘对三联苯 在 正丁基锂 、 硼酸三甲酯 、 盐酸 作用下， 以 四氢呋喃 、 正己烷 、 水 为溶剂， 反应 1.25h， 以82%的产率得到[1,1',4',1'-terphenyl]-4,4'-diyldiboronic acid
  参考文献：
  名称：

  Micropatterning of Metallopolymers: Syntheses of Back-to-Back Coupled Octylated 2,6-Bis(pyrazolyl)pyridine Ligands and Their Solution-Processable Coordination Polymers

  摘要：

  This paper presents a 10-step synthetic route for the preparation of a series of new back-to-back coupled 2,6-bis(pyrazol-l-yl)pyridine (bpp) ligands (L0-L3) decorated with tetraoctyl chains. Ligand L1 self-assembles with Zn2+ ion to form a highly soluble metallo-supramolecular polymer 1 with M-n similar to 9600 g/mol. To demonstrate the processability of polymer 1, by following a "top-down" approach periodic one-dimensional fluorescent microstripes were fabricated on a silica substrate.

  DOI：

  10.1021/jo300050m
• 作为产物：
  描述：

  1,4-二溴苯 在 硫酸 、 碘 、 palladium diacetate 、 potassium carbonate 、 过碘酸 、 三(邻甲基苯基)磷 作用下， 以 甲醇 、 四氯化碳 、 溶剂黄146 、 甲苯 为溶剂， 反应 6.0h， 生成 4,4''-二碘对三联苯
  参考文献：
  名称：

  Two-dimensional oligoarylenes: synthesis and structure–properties relationships

  摘要：

  A novel-series of two-dimensional pi-conjugated oligoarylenes has been synthesized by a divergent approach using Pd-catalysed Suzuki cross-coupling of tetraiodophenylbenzene and arylboronic acid as a key step. It has been shown that the 'X-branched' structure can provide a useful platform to construct amorphous molecular materials as it can enhance the morphological and thermal stability as well as to facilitate solubility and processibility of a material when compared to those of the corresponding linear oligomers. The diphenylamino end-capped two-dimensional oligoarylenes were found useful as a hole transporting/emitting layer for light emitting applications. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2005.03.077

文献信息

• AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME
  申请人：Idemitsu Kosan Co., Ltd.

  公开号：EP1997799A1

  公开（公告）日：2008-12-03

  Provided are a novel aromatic amine derivative represented by the following general formula (1) and an organic electroluminescent device including an organic thin film formed of one or a plurality of layers including at least a light emitting layer interposed between a cathode and an anode, in which at least one layer of the organic thin film contains the aromatic amine derivative alone or as a component of a mixture, which contributes to suppressing molecular crystallization and improving yield in the production of an organic electroluminescent device, whereby an organic electroluminescent device having a long lifetime can be obtained, and the aromatic amine derivative is capable of realizing the organic electroluminescent device: where: R1 represents an aryl group or the like; a represents an integer of 0 to 4; b represents an integer of 1 to 3; and at least one of Ar1 to Ar4 represents a group represented by the following general formula (2): where Ar5 represents a fused aromatic ring group and Ar6 represents an aryl group or an aromatic heterocyclic group, where remaining groups of Ar1 to Ar4, none of which is represented by the general formula (2), each independently represent an aryl group or an aromatic heterocyclic group.

  提供了一种由以下一般式（1）表示的新型芳香胺衍生物，以及包括由至少一个或多个层次组成的有机薄膜的有机电致发光装置，其中有机薄膜的至少一层包含仅芳香胺衍生物或作为混合物成分的芳香胺衍生物，有助于抑制分子结晶并提高有机电致发光装置的产量，从而可以获得寿命长的有机电致发光装置，且该芳香胺衍生物能够实现该有机电致发光装置： 其中：R1代表芳基或类似物；a代表0到4的整数；b代表1到3的整数；Ar1至Ar4中至少一个代表由以下一般式（2）表示的基团： 其中Ar5代表融合芳香环基团，Ar6代表芳基或芳香杂环基团， Ar1至Ar4的其余基团，其中没有一个被一般式（2）表示，各自独立地代表芳基或芳香杂环基团。
• Molecular Spoked Wheels: Synthesis and Self-Assembly Studies on Rigid Nanoscale 2D Objects
  作者：A. Vikas Aggarwal、Stefan-S. Jester、Sara Mehdizadeh Taheri、Stephan Förster、Sigurd Höger

  DOI：10.1002/chem.201203444

  日期：2013.4.2

  We present the efficient synthesis of a new molecular spoked‐wheel structure (MSW‐3). Two derivatives with diameters of approximately 4 nm have been prepared. By highlighting the importance of pseudo‐high‐dilution conditions during cyclization, we were able to access the compounds on a several hundred milligram scale. In addition to the standard characterization (NMR spectroscopy, MS), we describe

  我们提出了一种新的分子辐轮结构（MSW-3）。已经制备了两种直径约4nm的衍生物。通过强调在环化过程中假高稀释条件的重要性，我们能够以几百毫克的规模使用这些化合物。除了标准表征（NMR光谱，MS）之外，我们还通过与适当的模型生色团进行比较来描述荧光MSW的光学性质的详细研究。此外，还通过光和X射线散射实验对溶液中的结构进行了全面研究。扫描隧道显微镜（STM）揭示了分子在高取向热解石墨上的二维组织，并强调了辐条轮结构。通过小角度X射线散射测量的这些分子的直径与STM获得的直径非常吻合，并且与分子建模的结果相符。这证实了辐条的刚性作用，从而产生了形状持久的纳米级扁圆形有机化合物。
• 방향족 아민 유도체 및 그들을 이용한 유기 전기 발광 소자
  申请人：IDEMITSU KOSAN CO., LTD. 이데미쓰 고산 가부시키가이샤(519980963384)

  公开号：KR101551591B1

  公开（公告）日：2015-09-08

  특정 구조의 신규한 방향족 아민 유도체, 및 음극과 양극 사이에 적어도 발광층을 포함하는 1층 또는 복수층으로 이루어지는 유기 박막층이 협지되어 있는 유기 전기 발광 소자에 있어서, 상기 유기 박막층의 적어도 1층, 특히 정공 수송층이 상기 방향족 아민 유도체를 단독으로 또는 혼합물의 성분으로서 함유하는 것에 의해, 분자가 결정화되지 않아, 유기 전기 발광 소자를 제조할 때의 양품률이 향상되고, 수명이 긴 유기 전기 발광 소자를 제공한다.

  特定结构的新型芳香族胺衍生物，以及在阴极和阳极之间至少包含一个发光层的有机薄膜层构成的有机电致发光器件中，所述有机薄膜层的至少一层，特别是正空穴传输层包含所述芳香族胺衍生物作为单独或混合物的成分，使分子不结晶，从而提高制造有机电致发光器件时的良品率，并提供寿命长的有机电致发光器件。
• Aromatic amine derivative and organic electroluminescence device employing the same
  申请人：Yabunouchi Nobuhiro

  公开号：US20070167654A1

  公开（公告）日：2007-07-19

  A novel aromatic amine derivative having a specific structure and an organic electroluminescence device comprising an organic thin film layer which comprises at least one layer comprising at least a light emitting layer and is disposed between a cathode and an anode, wherein at least one layer in the organic thin film layer comprises the aromatic amine derivative singly or as a component of a mixture. The device can be driven under a decreased voltage and has a long life. The device can be realized by using the derivative.

  一种具有特定结构的新型芳香胺衍生物，以及包括至少一层至少包括发光层的有机薄膜层的有机电致发光器件，该有机薄膜层位于阴极和阳极之间，其中有机薄膜层中的至少一层单独包括或作为混合物成分包括芳香胺衍生物。该器件可以在降低的电压下驱动，并具有长寿命。该器件可以通过使用该衍生物实现。
• [EN] PROTON-CONDUCTING ORGANIC MATERIALS<br/>[FR] MATÉRIAUX ORGANIQUES CONDUCTEURS DE PROTONS
  申请人：MAX PLANCK GESELLSCHAFT

  公开号：WO2010139476A1

  公开（公告）日：2010-12-09

  Proton-conducting material having a degree of crystallinity of at least 30%, which comprises: i) at least one organic compound having the formula (I), R1(R2)m(R3)n wherein - R1 is an optionally fused aromatic, cyclic or polycyclic moiety comprising 1 to 200 carbon atoms, able to have 3 to 60 substituents; - the substituents R2 are identical or different and are each a group comprising at least one phosphonic acid moiety; - the substituents R3 are identical or different and are each hydrogen, a halogen atom, or a group having 1 to 60 carbon atoms; - m is a number within the range 3 to 60; - n is a number within the range 0 to 57; - m+n is within the range of 3 to 60; - said compound comprises at least 4, optionally fused, aromatic moieties, and ii) crystal water.

  具有至少30%结晶度的质子导体材料，包括：i) 至少一种具有以下式(I)的有机化合物，R1(R2)m(R3)n其中 - R1是一个可选的融合芳香、环状或多环基团，包含1至200个碳原子，能够有3至60个取代基； - 取代基R2是相同或不同的，每个都是包含至少一个膦酸基团的基团； - 取代基R3是相同或不同的，每个是氢、卤素原子或具有1至60个碳原子的基团； - m是在3至60范围内的数字； - n是在0至57范围内的数字； - m+n在3至60范围内； - 该化合物包括至少4个可选的融合芳香基团，以及ii) 晶体水。