4-溴-3-硝基苯硼酸 | 74386-13-3

• 物质功能分类: 化学试剂 - 有机试剂 - 硼酸
• 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-3-硝基苯硼酸
• 中文别名: 4-溴-3-硝基苯基硼酸；3-硝基-4-溴苯硼酸
• 英文名称: 4-bromo-3-nitrophenylboronic acid
• 英文别名: (4-Br-3-NO2-C6H3)B(OH)2；(4-bromo-3-nitro-phenyl)-dihydroxy-borane；(4-Brom-3-nitro-phenyl)-dihydroxy-boran；4-Brom-3-nitro-phenylboronsaeure；(4-bromo-3-nitrophenyl)boronic acid
• CAS: 74386-13-3
• 化学式: C₆H₅BBrNO₄
• 分子量: 245.825
• InChiKey: ACFLUOVNZOLXAZ-UHFFFAOYSA-N

物化性质

• 熔点：
  213-216
• 沸点：
  361.6±52.0 °C(Predicted)
• 密度：
  1.85±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.04
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  86.3
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2931900090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  存储条件为2-8°C，并需保存在惰性气体中。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Bromo-3-nitrophenylboronic acid
Synonyms:

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

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Section 3. Composition/information on ingredients.
Ingredient name: 4-Bromo-3-nitrophenylboronic acid
CAS number: 74386-13-3

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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.

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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.

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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: C6H5BBrNO4
Molecular weight: 245.8

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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.

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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-3-硝基苯硼酸 在 tris-(dibenzylideneacetone)dipalladium(0) 、 三叔丁基膦 、 亚磷酸三乙酯 作用下， 以 甲苯 为溶剂， 反应 36.0h， 生成 (13-Phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-16-yl)boronic acid
  参考文献：
  名称：

  COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME

  摘要：

  一种有机发光装置包括：第一电极；面向第一电极的第二电极；以及位于第一电极和第二电极之间的有机层，其中有机层包括发射层，其中有机层包括由公式1表示的化合物。根据本公开的实施例，有机发光装置可以具有高效率和长寿命特性。

  公开号：

  US20170069849A1
• 作为产物：
  描述：

  2,5-二溴硝基苯 在 苯基氯化镁 、 水 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 3.5h， 生成 4-溴-3-硝基苯硼酸
  参考文献：
  名称：

  Side functionalization of diboronic acid precursors for covalent organic frameworks

  摘要：

  一系列取代的1,4-苯二硼酸（BDBA）被合成，并研究了它们的热性质。选择两种二硼酸作为共价有机骨架（COF）形成的构建块，即2,5-二甲氧基-1,4-苯二硼酸和2-硝基-1,4-苯硼酸。有趣的是，BDBA核心的取代导致了聚合温度的显著降低，从而形成了较为无序的结构。

  DOI：

  10.1039/c3ce26494g

文献信息

• 一种有机发光化合物及其制备方法和有机发 光器件
  申请人：上海升翕光电科技有限公司

  公开号：CN108383842B

  公开（公告）日：2020-03-13

  本发明涉及有机电致发光器件领域，具体涉及一种有机发光化合物及其制备方法和有机发光器件。本发明提供的有机发光化合物，通过选择特定的母核结构以及取代基R1、R2和R3及Ar1、Ar2和Ar3而得到的一种新型结构的化合物，该化合物作为电子传输层材料应用于有机发光器件后，其器件的发光效率提高，而且使用寿命长。本发明提供的有机发光化合物的制备方法，其原料易得，制法简单，适于规模化生产。
• DERIVATIVES OF PHENYLBORIC ACID, THEIR PREPARATION AND ACTION UPON BACTERIA. II. HYDROXYPHENYLBORIC ACIDS¹
  作者：Frederic R. Bean、John R. Johnson

  DOI：10.1021/ja01350a045

  日期：1932.11
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: B: B-Verb.13, 4.7.2.4, page 203 - 209
  作者：

  DOI：——

  日期：——