4-溴-2,3,5,6-四甲基苯胺 | 53965-69-8

• 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: 4-溴-2,3,5,6-四甲基苯胺
• 英文名称: 4-bromo-2,3,5,6-tetramethylaniline
• 英文别名: 4-bromo-2,3,5,6-tetramethyl-aniline；4-Brom-2,3,5,6-tetramethyl-anilin
• CAS: 53965-69-8
• 化学式: C₁₀H₁₄BrN
• 分子量: 228.132
• InChiKey: VENKISSLGWHCOE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2921430090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Bromo-2,3,5,6-tetramethylaniline
Synonyms: 3-Amino-6-bromodurene

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

---

Section 3. Composition/information on ingredients.
Ingredient name: 4-Bromo-2,3,5,6-tetramethylaniline
CAS number: 53965-69-8

---

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.

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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.

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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:

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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: C10H14BrN
Molecular weight: 228.1

---

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

---

Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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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.

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

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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.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4-溴-2,3,5,6-四甲基苯胺 、 C₂₈H₂₉Cl₂N 以 丙酮 为溶剂， 反应 24.0h， 以80%的产率得到8-(4-Bromo-2,3,5,6-tetramethylphenyl)-17-tert-butyl-14,14,22,22-tetramethyl-1,8-diazahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
  参考文献：
  名称：

  空穴传输材料及其制备方法、有机电致发光器 件

  摘要：

  一种空穴传输材料及其制备方法、有机电致发光器件，空穴传输材料的结构通式为其中，R基团为咔唑基团及其衍生物基团、二苯胺基团及其衍生物基团、吩噁嗪基团及其衍生物基团、以及吖啶基团及其衍生物基团中的任意一种。通过以二并吖啶结构为核和搭配不同的官能团，设计合成了具有合适能级且迁移速率高的空穴传输材料，且基于该空穴传输材料的有机电致发光器件具有较高的发光效率。

  公开号：

  CN110511223B
• 作为产物：
  描述：

  2,3,5,6-四甲基苯胺 在 溴 、 溶剂黄146 作用下， 生成 4-溴-2,3,5,6-四甲基苯胺
  参考文献：
  名称：

  An Integrated Robust Strategy for Diagnosing Sensor Faults in Building Chilling Systems

  摘要：

  An integrated robust strategy for the detection, diagnosis, and validation of the soft sensor faults commonly found in building chilling systems is presented. The integrated strategy, which extends the works of Wang and Wang (1999), is based on the universal conservation relationships for mass and energy. Biases in temperature sensors and flow meters are estimated by, minimizing the sums of the squares of the mass and energy balance residuals. A robust approach using a genetic algorithm is used to systematically minimize the sums of the squares of the associated heat balance residuals so that the biases are estimated more reliably and accurately. A correlation cancellation method is developed to estimate the cooling water flow meter bias, under conditions in which the cooling water temperature sensor biases exist and are unknown. The correlation cancellation method uses a derived characteristic quantity to estimate the water flow meter bias. Validation tests are performed using a dynamic simulation together with a field case study conducted in an existing building chilling system. Even in unfavorable conditions, the integrated robust strategy can estimate the biases of the chilled and cooling water flow meters and the relative biases of the chilled and cooling water temperature sensors accurately and robustly.

  DOI：

  10.1080/10789669.2002.10391434

文献信息

• An Integrated Robust Strategy for Diagnosing Sensor Faults in Building Chilling Systems
  作者：Jin-Bo Wang、Shengwei Wang、John Burnett

  DOI：10.1080/10789669.2002.10391434

  日期：2002.4.1

  An integrated robust strategy for the detection, diagnosis, and validation of the soft sensor faults commonly found in building chilling systems is presented. The integrated strategy, which extends the works of Wang and Wang (1999), is based on the universal conservation relationships for mass and energy. Biases in temperature sensors and flow meters are estimated by, minimizing the sums of the squares of the mass and energy balance residuals. A robust approach using a genetic algorithm is used to systematically minimize the sums of the squares of the associated heat balance residuals so that the biases are estimated more reliably and accurately. A correlation cancellation method is developed to estimate the cooling water flow meter bias, under conditions in which the cooling water temperature sensor biases exist and are unknown. The correlation cancellation method uses a derived characteristic quantity to estimate the water flow meter bias. Validation tests are performed using a dynamic simulation together with a field case study conducted in an existing building chilling system. Even in unfavorable conditions, the integrated robust strategy can estimate the biases of the chilled and cooling water flow meters and the relative biases of the chilled and cooling water temperature sensors accurately and robustly.
• 空穴传输材料及其制备方法、有机电致发光器 件
  申请人：武汉华星光电半导体显示技术有限公司

  公开号：CN110511223B

  公开（公告）日：2020-10-13

  一种空穴传输材料及其制备方法、有机电致发光器件，空穴传输材料的结构通式为其中，R基团为咔唑基团及其衍生物基团、二苯胺基团及其衍生物基团、吩噁嗪基团及其衍生物基团、以及吖啶基团及其衍生物基团中的任意一种。通过以二并吖啶结构为核和搭配不同的官能团，设计合成了具有合适能级且迁移速率高的空穴传输材料，且基于该空穴传输材料的有机电致发光器件具有较高的发光效率。