2-溴-5-氯苯硼酸 | 1217501-18-2

• 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: 2-溴-5-氯苯硼酸
• 英文名称: 2-bromo-5-chlorophenylboronic acid
• 英文别名: (2-bromo-5-chlorophenyl)boronic acid
• CAS: 1217501-18-2
• 化学式: C₆H₅BBrClO₂
• 分子量: 235.272
• InChiKey: ZWWJWGKFUCVGFU-UHFFFAOYSA-N

物化性质

• 沸点：
  363.4±52.0 °C(Predicted)
• 密度：
  1.79±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.78
• 重原子数：
  11
• 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：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2931900090
• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P330,P363,P501
• 危险性描述：
  H302,H312,H332

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Bromo-5-chlorophenylboronic 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: 2-Bromo-5-chlorophenylboronic acid
CAS number: 1217501-18-2

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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, refrigerated.
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: C6H5BBrClO2
Molecular weight: 235.3

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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 chloride, 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：

  2-溴-5-氯苯硼酸 在 bis-triphenylphosphine-palladium(II) chloride 、 亚硝酸特丁酯 、 碳酸氢钠 作用下， 以 乙二醇二甲醚 、 水 、 乙腈 为溶剂， 反应 4.0h， 生成 2-chlorodibenzo[b,d]bromol-5-ium methanesulfonate
  参考文献：
  名称：

  环状二芳基 λ3-溴烷作为原始芳炔前体

  摘要：

  尽管高价碘得到广泛应用，但相应的 λ 3 -溴烷却鲜有研究。在此，我们报告了一种获得环状二芳基 λ 3 -溴烷的通用、安全且高产的策略。这些独特的化合物具有与 λ 3 -碘烷互补的反应性，可在温和的反应条件和弱碱存在下生成芳炔。因此，正规的元-选择性过渡金属-自由C-O和C-N偶联可以实现。机理研究明确支持芳炔生成机制。

  DOI：

  10.1002/anie.202103625
• 作为产物：
  描述：

  1-溴-4-氯-2-碘苯 、 硼酸三甲酯 在 异丙基溴化镁 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以70%的产率得到2-溴-5-氯苯硼酸
  参考文献：
  名称：

  环状二芳基 λ3-溴烷作为原始芳炔前体

  摘要：

  尽管高价碘得到广泛应用，但相应的 λ 3 -溴烷却鲜有研究。在此，我们报告了一种获得环状二芳基 λ 3 -溴烷的通用、安全且高产的策略。这些独特的化合物具有与 λ 3 -碘烷互补的反应性，可在温和的反应条件和弱碱存在下生成芳炔。因此，正规的元-选择性过渡金属-自由C-O和C-N偶联可以实现。机理研究明确支持芳炔生成机制。

  DOI：

  10.1002/anie.202103625

文献信息

• Substituted Oxopyridine Derivatives and Use Thereof in the Treatment of Cardiovascular Disorders
  申请人：BAYER PHARMA AKTIENGESELLSCHAFT

  公开号：US20160052884A1

  公开（公告）日：2016-02-25

  The invention relates to substituted oxopyridine derivatives and to processes for their preparation, and also to their use for preparing medicaments for the treatment and/or prophylaxis of diseases, in particular cardiovascular disorders, preferably thrombotic or thromboembolic disorders, and oedemas, and also ophthalmic disorders.

  这项发明涉及替代的氧代吡啶衍生物及其制备方法，以及它们用于制备用于治疗和/或预防疾病的药物，特别是心血管疾病，优选是血栓性或血栓栓塞性疾病、水肿以及眼科疾病。
• 치환된 옥소피리딘 유도체 및 심혈관 장애의 치료에서의 그의 용도
  申请人：BAYER PHARMA AKTIENGESELLSCHAFT 바이엘 파마 악티엔게젤샤프트(519980697332)

  公开号：KR20150137095A

  公开（公告）日：2015-12-08

  본 발명은 하기 화학식 I의 치환된 옥소피리딘 유도체, 및 그의 제조 방법 및 질환, 특히 심혈관 질환, 바람직하게는 혈전성 또는 혈전색전성 질환, 및 부종, 및 또한 안과 장애의 치료 및/또는 예방을 위한 의약의 제조를 위한 그의 용도에 관한 것이다. <화학식 I> 상기 식에서, R1은 하기 화학식의 기이고, 여기서 *는 옥소피리딘 고리에 대한 부착 부위이고, R6은 브로민, 염소, 플루오린, 메틸, 디플루오로메틸, 트리플루오로메틸, 메톡시, 디플루오로메톡시 또는 트리플루오로메톡시이고, R7은 브로민, 염소, 플루오린, 시아노, 니트로, 히드록실, 메틸, 디플루오로메틸, 트리플루오로메틸, 메톡시, 에톡시, 디플루오로메톡시, 트리플루오로메톡시, 에티닐, 3,3,3-트리플루오로프로프-1-인-1-일 또는 시클로프로필이다.

  本发明涉及下式I的取代的氧吡啶衍生物、其制备方法及其在制备治疗和/或预防疾病，特别是心血管疾病，优选血栓性或血栓栓塞性疾病和水肿，以及眼科疾病的药物中的用途。<方案 I>在上式中，R1 是下式的基团，其中 * 是氧吡啶环的连接位点，R6 是溴、氯、氟、甲基、二氟甲基、三氟甲基、甲氧基、二氟甲氧基或三氟甲氧基、R7 是溴、氯、氟、氰基、硝基、羟基、甲基、二氟甲基、三氟甲基、甲氧基、乙氧基、二氟甲氧基、三氟甲氧基、乙炔基、3,3,3-三氟丙-1-炔-1-基或环丙基。
• 一种由铜化合物诱导制备菲啶酮类化合物的 方法
  申请人：广州大学

  公开号：CN109320497B

  公开（公告）日：2020-07-31

  本发明属于有机合成、金属催化领域，公开了一种由铜化合物诱导制备菲啶酮类化合物的方法。该方法包括以下步骤：将苯甲酰胺衍生物、邻溴苯硼酸类化合物、铜盐、碱和溶剂在惰性气体保护下加入反应器中，然后加热反应，反应结束后将所得反应液纯化即得所需的菲啶酮类化合物。该方法在氮气和密闭环境中，在碱的存在下，苯甲酰胺衍生物在铜化合物的催化作用下与邻溴苯硼酸发生C‑H活化串联反应生成菲啶酮；该方法所使用的原料、铜盐等简单易得，并且反应操作简单，产率高，有利于工业化生产。
• 一种有机化合物以及使用其的电子元件和电 子装置
  申请人：陕西莱特光电材料股份有限公司

  公开号：CN111848588B

  公开（公告）日：2021-11-16

  本申请涉及一种有机化合物，所述有机化合物的结构由式I与式II组成：其中，式I所示的结构与式II所示的结构稠合，*表示式I中可以与式II稠合的连接点。本申请的有机化合物用于有机电致发光器件的发光层时，可以有效地提升器件的器件效率，并延长有机电致发光器件的寿命。
• 含氮化合物、电子元件和电子装置
  申请人：陕西莱特光电材料股份有限公司

  公开号：CN112239475B

  公开（公告）日：2023-03-24

  本申请属于有机材料技术领域，提供了一种化学式1所示的含氮化合物、电子元件和电子装置。该含氮化合物能够改善电子元件的性能。