N,N'-二苯基-N,N'-二(3-甲基苯基)-1,1'-联苯-4,4'-二胺 | 65181-78-4

• 物质功能分类: 材料化学 - 发光材料
• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: N,N'-二苯基-N,N'-二(3-甲基苯基)-1,1'-联苯-4,4'-二胺
• 中文别名: 4,4'-双[N-苯基-N-(间甲苯基)氨基]联苯；N,N'-双(3-甲基苯基)-N,N'-二苯基-[1,1'-联苯]-4,4'-二胺；N,N'-二苯基-N,N'-二(间甲苯基)联苯胺；N,N'-双(3-甲基苯基)-N,N'-二苯联苯胺；N,N'-二苯基-N,N'-双(3-甲基苯基)-[1,1'-联苯]-4,4'-二胺；n,n'-双(3-甲苯基)-n,n'-二苯基联苯胺；N,N'-二苯基-N,N'-(3-甲基苯基)-1,1'-联苯-4,4'-二胺(TPD)；N,N'-二苯基-N,N'-(3-甲基苯基)-1,1'-联苯-4,4'-二胺；N,N’-二苯基-N,N’-二(3-甲基苯基)-1,1’-联苯-4,4’-二胺；N,N'-双(3-甲基苯基)-N,N'-二苯基-1,1'-联苯-4,4'-二胺；N,N"-二苯基-N,N"-二(3-甲基苯基)-1,1"-联苯-4,4"-二胺；TPD；N,N'-二苯基-N,N'-二(3－甲基苯基)-1,1'-联苯-4,4'-二胺；LT-E103
• 英文名称: 4,4'-bis(m-tolylphenylamino)biphenyl
• 英文别名: N,N'-diphenyl-N,N'-bis(3-methylphenyl)-1,1'-biphenyl-4,4'-diamine；TPD；N,N'-Bis(3-methylphenyl)-N,N'-bis(phenyl)benzidine；3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
• CAS: 65181-78-4
• 化学式: C₃₈H₃₂N₂
• mdl: MFCD00144965
• 分子量: 516.685
• InChiKey: OGGKVJMNFFSDEV-UHFFFAOYSA-N

物化性质

• 熔点：
  169°C
• 沸点：
  680.1±55.0 °C(Predicted)
• 密度：
  1.37 g/cm3
• LogP：
  4.29 at 20℃ and pH6.3-6.5
• 表面张力：
  72.3mN/m at 242μg/L and 21.9℃
• 稳定性/保质期：

  远离氧化物。

计算性质

• 辛醇/水分配系数(LogP)：
  10.8
• 重原子数：
  40
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.052
• 拓扑面积：
  6.5
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险等级：
  9
• 危险品标志：
  N
• 危险类别码：
  R36/37/38
• 危险品运输编号：
  3077
• 海关编码：
  2921590090
• 安全说明：
  S26,S36/37/39,S61
• WGK Germany：
  2
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335,H351,H361
• 储存条件：
  存放在密封容器内，并置于阴凉、干燥处。请确保储存地点远离氧化剂。

SDS

Name:	N N -Diphenyl-N N -Di-M-Tolyl-Benzidine Material Safety Data Sheet
Synonym:	N,N'-Diphenyl-N,N'-bis(3-methylphenyl)-(1,1'-diphenyl)-4,4'-diamine
CAS:	65181-78-4

Section 1 - Chemical Product MSDS Name:N N -Diphenyl-N N -Di-M-Tolyl-Benzidine Material Safety Data Sheet
Synonym:N,N'-Diphenyl-N,N'-bis(3-methylphenyl)-(1,1'-diphenyl)-4,4'-diamine

---

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
65181-78-4	N,N'-Diphenyl-N,N'-di-m-tolylbenzidine	100	413-810-8

Hazard Symbols: N
Risk Phrases: 51/53

---

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

---

Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

---

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. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use dry chemical, carbon dioxide, or halon extinguisher.

---

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.

---

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

---

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 process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 65181-78-4: 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 minimize contact with skin.
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.

---

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Crystals
Color: yellowish-white
Odor: odorless
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 168 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: Insoluble.
Specific Gravity/Density:
Molecular Formula: C38H32N2
Molecular Weight: 516.2374

---

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, various hydrocarbons.
Hazardous Polymerization: Has not been reported

---

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 65181-78-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
N,N'-Diphenyl-N,N'-di-m-tolylbenzidine - Not listed by ACGIH, IARC, or NTP.

---

Section 12 - ECOLOGICAL INFORMATION

---

Section 13 - DISPOSAL CONSIDERATIONS
Products which are considered hazardous for supply are classified as Special Waste and the disposal of such chemicals is covered by regulations which may vary according to location. Contact a specialist disposal company or the local waste regulator for advice. Empty containers must be decontaminated before returning for recycling.

---

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.

---

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: N
Risk Phrases:
R 51/53 Toxic to aquatic organisms, may cause
long-term adverse effects in the aquatic environment.
Safety Phrases:
S 61 Avoid release to the environment. Refer to
special instructions/safety data sheets.
WGK (Water Danger/Protection)
CAS# 65181-78-4: No information available.
Canada
CAS# 65181-78-4 is listed on Canada's NDSL List.
CAS# 65181-78-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 65181-78-4 is listed on the TSCA inventory.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

用途：用于正孔传送材料的有机电致发光器件

反应信息

• 作为反应物：
  描述：

  N,N'-二苯基-N,N'-二(3-甲基苯基)-1,1'-联苯-4,4'-二胺 在 甲醇 、 sodium tetrahydroborate 、 N,N'-二环己基碳二亚胺 、 DPTS 、 三氯氧磷 作用下， 以 四氢呋喃 、 二氯甲烷 、 1,2-二氯乙烷 为溶剂， 反应 27.0h， 生成 [4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]methyl 2-[3,5-bis[2-[4-(1,2,2-trifluoroethenoxy)phenyl]ethoxy]phenyl]acetate
  参考文献：
  名称：

  Crosslinkable compound, method for preparing the same and light emitting device comprising the same

  摘要：

  公开号：

  EP2743253B1
• 作为产物：
  描述：

  N-(3-甲基苯基)邻氨基苯甲酸 在 copper(I) oxide 、 四甲基乙二胺 、 铜 、 caesium carbonate 、 copper(II) oxide 作用下， 以 硝基苯 为溶剂， 反应 7.0h， 生成 N,N'-二苯基-N,N'-二(3-甲基苯基)-1,1'-联苯-4,4'-二胺
  参考文献：
  名称：

  一种以羧基为导向基制备联苯型三芳胺类化 合物的方法、中间体及其制备方法

  摘要：

  本发明涉及一种以羧基为导向基制备联苯型三芳胺类化合物的方法、中间体及其制备方法。该中间体具有如下式所示的结构：其中，R选自氢、碳原子数为1‑10的烷基、碳原子数为1‑5的卤代烷基、碳原子数为1‑5的烷氧基、芳基。该中间体可利用简单易得的原料制备合成，以该中间体制备的联苯型三芳胺类化合物的纯度和收率高，能够显著降低联苯型三芳胺类化合物的生产成本，非常适用于联苯型三芳胺类化合物的工业化生产。

  公开号：

  CN108276300B

文献信息

• [EN] ELECTROLUMINESCENT DEVICE<br/>[FR] DISPOSITIF ELECTROLUMINESCENT
  申请人：CIBA SC HOLDING AG

  公开号：WO2003105538A1

  公开（公告）日：2003-12-18

  Disclosed are electroluminescent devices that comprise organic layers that contain certain 2H-benzotriazole compounds. The 2H-benzotriazole compounds of blue-emitting, durable, organo-electrouminescent layers. The electroluminescent devices may be employed for full color display panels in for example mobile phones, televisions and personal computer screens.

  揭示了包含特定2H-苯并三唑化合物的有机层的电致发光器件。这些2H-苯并三唑化合物用于蓝光发射、耐久的有机电致发光层。这些电致发光器件可用于移动电话、电视和个人电脑屏幕等全彩显示面板。
• Phototherapy Devices and Methods Comprising Optionally Substituted Quinquiesphenyl Compounds
  申请人：Nitto Denko Corporation

  公开号：US20150087685A1

  公开（公告）日：2015-03-26

  Methods and devices related to the treatment of diseases using phototherapy are described. Some embodiments provide an organic light-emitting diode device, such as a light-emitting device for phototherapy, comprising Ring System 1, Ring System 2, Ring System 3, Ring System 4 or Ring System 5. Methods of treating disease with phototherapy are also described.

  描述了使用光疗法治疗疾病的方法和设备。一些实施例提供了一种有机发光二极管装置，例如用于光疗的发光装置，包括环系1、环系2、环系3、环系4或环系5。还描述了使用光疗法治疗疾病的方法。
• [EN] BENZOIMIDAZOLE DERIVATIVES FOR USE IN LIGHT - EMITTING DEVICES<br/>[FR] DÉRIVÉS DE BENZIMIDAZOLE POUR UTILISATION DANS DES DISPOSITIFS ÉLECTROLUMINESCENTS
  申请人：NITTO DENKO CORP

  公开号：WO2012088294A1

  公开（公告）日：2012-06-28

  Compounds including optionally substituted Ring Systems 1-4 may be used as hosts in light-emitting devices.

  包括可选择替代的环系统1-4的化合物可以用作发光器件中的宿主。
• ANTHRACENE DERIVATIVE AND LIGHT-EMITTING DEVICES, ELECTRONIC DEVICES, AND LIGHTING DEVICE USING THE ANTHRACENE DERIVATIVE
  申请人：Ogita Kaori

  公开号：US20100099890A1

  公开（公告）日：2010-04-22

  An anthracene derivative is disclosed, and a light-emitting element, a light-emitting device, an electronic device, and a lighting device using the anthracene derivatives are demonstrated. The structure of the anthracene derivative is described in detail in the specification. The use of the anthracene derivative enables the production of a blue emissive light-emitting element having high emission efficiency, excellent purity of emission color, and a long lifetime, which contributes to the production of a high-performance light-emitting device, electronic device, and lighting device.

  揭示了一种蒽衍生物，并展示了使用该蒽衍生物的发光元件、发光装置、电子设备和照明装置。蒽衍生物的结构在说明书中被详细描述。使用蒽衍生物可以生产具有高发射效率、发射颜色纯度优异和长寿命的蓝色发光元件，有助于生产高性能的发光装置、电子设备和照明装置。
• [EN] NOVEL ORGANIC ELECTROLUMINESCENCE COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE CONTAINING THE SAME<br/>[FR] NOUVEAUX COMPOSÉS ORGANIQUES ÉLECTROLUMINESCENTS ET DISPOSITIF ORGANIQUE ÉLECTROLUMINESCENT LES CONTENANT
  申请人：ROHM & HAAS ELECT MAT

  公开号：WO2014081206A1

  公开（公告）日：2014-05-30

  The present invention relates to a novel organic electroluminescence compound and an organic electroluminescence device comprising the same. The organic electroluminescence compound according to the present invention provides higher luminous efficiency compared with conventional materials. In addition, an OLED device using the organic electroluminescence compound according to the present invention as a light-emitting host material has lower driving voltage, which results in higher power efficiency and enhanced power consumption, and provides improved current efficiency.

  本发明涉及一种新型有机电致发光化合物和包括该化合物的有机电致发光装置。根据本发明的有机电致发光化合物与传统材料相比具有更高的发光效率。此外，使用本发明的有机电致发光化合物作为发光主体材料的OLED装置具有更低的驱动电压，从而实现更高的功率效率和增强的功耗，并提供改善的电流效率。