四溴-4'-氟苯二甲酮 | 2069-41-2

• 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: 四溴-4'-氟苯二甲酮
• 英文名称: (4-bromophenyl)(4-fluorophenyl)methanone
• 英文别名: 4-bromo-4'-fluorobenzophenone；4-fluoro,4'-bromo-benzophenone；(4-bromophenyl)-(4-fluorophenyl)methanone
• CAS: 2069-41-2
• 化学式: C₁₃H₈BrFO
• 分子量: 279.108
• InChiKey: SSXSFTBOKUQUAX-UHFFFAOYSA-N

物化性质

• 熔点：
  107-108 °C
• 沸点：
  353.4±22.0 °C(Predicted)
• 密度：
  1.485±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2914700090
• 危险性防范说明：
  P261,P264,P271,P280,P302+P352,P304+P340+P312,P305+P351+P338,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H315,H319,H335
• 储存条件：
  室温且干燥环境下使用。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 4-Bromo-4’-fluorobenzophenone
Synonyms: (4-Bromophenyl)(4-fluorophenyl)methanone

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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-4’-fluorobenzophenone
CAS number: 2069-41-2

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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: C13H8BrFO
Molecular weight: 279.1

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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, hydrogen fluoride, 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：

  四溴-4'-氟苯二甲酮 在 bis-triphenylphosphine-palladium(II) chloride potassium permanganate 、 copper(l) iodide 、 三乙胺 、 三苯基膦 作用下， 以 水 、 溶剂黄146 、 丙酮 为溶剂， 反应 12.5h， 生成 4'-fluoro-4-(4-fluorophenylglyoxalyl)benzophenone
  参考文献：
  名称：

  摘要：

  A series of previously unknown unsymmetrical difluoroaromatic compounds, viz., p-fluorobenzoylphenyl(p-fluorophenyl)-substituted imidazoles, pyrazines, and quinoxalines, were synthesized according to multistep procedures with the use of chloral as the key compound. The reactivities of the resulting difluoroaromatic compounds were estimated based on F-19 and C-13 NMR spectral data and the results of quantum-chemical calculations. The calculated charge densities on the C-ipso atoms correlate linearly with the experimental chemical shifts in the F-19 and C-13 NMR spectra. Difluoroaromatic compounds, which are characterized by F-delta > -110 and delta(C) > 163 and by the charge density on the C-ipso atom higher than 0.08 e, are sufficiently activated to be used for the preparation of high-molecular-weight polyethers.

  DOI：

  10.1023/a:1015022032506
• 作为产物：
  描述：

  4-溴苯甲酰氯 在 三(2-呋喃基)膦 、 三乙胺 、 bis(dibenzylideneacetone)-palladium⁽⁰⁾ 作用下， 以 正己烷 、 甲苯 为溶剂， 反应 12.5h， 生成 四溴-4'-氟苯二甲酮
  参考文献：
  名称：

  通过无膦的福山反应合成二芳基酮。

  摘要：

  描述了通过硫酯和有机锌试剂的Fukuyama偶联来合成不对称的二芳基酮。通常，使用该方法合成二芳基酮的收率低。发现简单的复合物Pd（dba）（2）可将多种芳基硫酯以良好的产率转化为二芳基酮。

  DOI：

  10.1039/c1cc16114h

文献信息

• 一种有机电致发光材料及其制备方法和应用
  申请人：中节能万润股份有限公司

  公开号：CN106883149B

  公开（公告）日：2019-04-02

  本发明属于有机电致发光材料技术领域，尤其涉及一种有机电致发光材料及其制备方法和应用，其具有如下结构通式：其中，R1为氢基、卤基、氰基、C1‑10烷基、取代或未取代的C1‑12烷氧基中的一种；A为亚苯基或亚萘基；Ar为苯基、C7‑14苯烷基、C10‑60多环共轭芳基、含有N、S、O中的至少一种C12‑60芳族杂环基中的一种，以本发明有机电致发光材料用于制备OLED器件的发光层材料，该类材料具有优异的热稳定性，玻璃化转变温度和分解温度高，容易形成良好的无定形薄膜，应用在电致发光器件中，可以获得更加稳定的效果和更长的使用寿命。
• Synthesis of Cyclopropanes via 1,3-Migration of Acyloxy Groups Triggered by Formation of α-Imino Rhodium Carbenes
  作者：Ze-Feng Xu、Jincheng Liu、Xin Chang、Tao Chen、Huaping Xu、Shengguo Duan、Chuan-Ying Li

  DOI：10.1021/acs.orglett.0c01764

  日期：2020.7.2

  A novel and highly efficient synthetic approach to cyclopropanes was realized via 1,3-migration of acyloxy groups triggered by α-imino rhodium carbenes. Excellent chemoselectivity ensured broad compatibility of common functional groups. Merits such as readily available substrates, mild reaction conditions, and time-saving processes qualified this transformation as an attractive alternative strategy

  通过α-亚氨基铑卡宾烯引发的酰氧基的1,3-迁移，实现了一种新型的高效合成环丙烷的方法。出色的化学选择性确保了常见官能团的广泛相容性。诸如易于获得的底物，温和的反应条件和省时的工艺等优点使这种转化成为合成多功能环丙烷的有吸引力的替代策略。介绍了对该机制的初步研究和讨论。
• 一种螺环空穴传输材料及其制备方法和应用
  申请人：中节能万润股份有限公司

  公开号：CN106883145B

  公开（公告）日：2019-04-02

  本发明属于螺环空穴传输材料技术领域，尤其涉及一种螺环空穴传输材料及其制备方法和应用，其具有如下结构通式：其中，R1选自氢基、卤基、氰基、C1‑10烷基、取代或未取代的C1‑12烷氧基中的一种；A为亚苯基或亚萘基；R2、R3分别独立选自苯基、C7‑14苯烷基、C10‑60多环共轭芳基、含有N、S、O中的至少一种的C12‑60芳族杂环基中的一种，以本发明螺环空穴传输材料用于制备OLED器件的空穴传输层材料，该类材料具有优异的热稳定性，玻璃化转变温度和分解温度高，容易形成良好的无定形薄膜，应用在电致发光器件中，可以获得更加稳定的效果和更长的使用寿命。
• [EN] SUBSTITUTED PYRIMIDINES<br/>[FR] PYRIMIDINES SUBSTITUÉES
  申请人：MERCK SHARP & DOHME

  公开号：WO2013040790A1

  公开（公告）日：2013-03-28

  Disclosed are substituted pyrimidines useful as HIF prolyl hydroxylase inhibitors to treat anemia and like conditions.

  公开了作为HIF脯氨酰羟化酶抑制剂的有用取代嘧啶，用于治疗贫血及类似病症。
• AIBN initiated functionalization of the benzylic sp3 C H and C C bonds in the presence of dioxygen
  作者：Yingying Hu、Yu Shao、Shuwei Zhang、Yuan Yuan、Zheng Sun、Yu Yuan、Xiaodong Jia

  DOI：10.1016/j.tetlet.2020.152806

  日期：2021.3

  sp3 CH bond functionalization and CC bond cleavage were realized by AIBN/O2 catalyst system, providing a series of benzophenones under mild reaction conditions. The mechanistic study shows that a peroxide intermediate is involved in this transformation, and in the case of diphenylmethanes, the sp3 CC bond is cleaved through the peroxide rearrangement, which might provides a new way to cleave relatively

  通过AIBN / O 2催化剂体系实现了sp 3 C H键的官能化和C C键的裂解，在温和的反应条件下提供了一系列的二苯甲酮。机理研究表明，过氧化物中间体参与了这一转变，在二苯基甲烷的情况下，sp 3 C C键通过过氧化物重排而断裂，这可能提供了一种断裂相对较强的C C键并被应用的新方法。更一般的C C键活化。