3-溴-5-氟苯硼酸 | 849062-37-9

• 物质功能分类: 有机原料 - 有机氟化合物 - 氟苯硼酸系列
• 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: 3-溴-5-氟苯硼酸
• 中文别名: 3-溴-5-氟苯基硼酸
• 英文名称: (3-bromo-5-fluorophenyl)boronic acid
• 英文别名: 3-bromo-5-fluorobenzeneboronic acid
• CAS: 849062-37-9
• 化学式: C₆H₅BBrFO₂
• 分子量: 218.818
• InChiKey: UVKKALLRVWTDOY-UHFFFAOYSA-N

物化性质

• 熔点：
  >300
• 沸点：
  329.0±52.0 °C(Predicted)
• 密度：
  1.75±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.27
• 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：
  3

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S22,S24/25
• WGK Germany：
  3
• 海关编码：
  2931900090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
3-Bromo-5-fluorophenylboronic acid
Product Name:
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
P261: Avoid breathing dust/fume/gas/mist/vapours/spray
Wear protective gloves/protective clothing/eye protection/face protection
P280:
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P304+P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
P405: Store locked up

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Section 3. Composition/information on ingredients.
3-Bromo-5-fluorophenylboronic acid
Ingredient name:
CAS number: 849062-37-9

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Section 4. First aid measures
Immediately wash skin with copious amounts of water for at least 15 minutes while removing
Skin contact:
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.
Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
Ingestion:

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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.
Storage: Store in closed vessels.

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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
Not specified
Appearance:
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C6H5BBrFO2
Molecular weight: 218.8

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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, 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：

  3-溴-5-氟苯硼酸 在 copper diacetate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 生成 1-Bromo-3-(3-bromo-5-fluorophenyl)-5-fluorobenzene
  参考文献：
  名称：

  [EN] POLYCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME
  [FR] COMPOSÉS POLYCYCLIQUES ET LEURS PROCÉDÉS DE FABRICATION ET D'UTILISATION

  摘要：

  公开号：

  WO2014093225A3
• 作为产物：
  描述：

  1,3-二溴-5-氟苯 在 正丁基锂 、 硼酸三异丙酯 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以14%的产率得到3-溴-5-氟苯硼酸
  参考文献：
  名称：

  [EN] ALKYNYL ALCOHOLS AND METHODS OF USE
  [FR] ALCOOLS D'ALCYNYLE ET PROCÉDÉS D'UTILISATION CORRESPONDANTS

  摘要：

  这项发明涉及以下式的化合物（0）：其中Q，A1-A8，R4和R5分别具有如本文所述的含义。式（0）的化合物及其药物组成物在治疗观察到NF-kB信号通路的不良或过度活化的疾病和紊乱中是有用的。

  公开号：

  WO2015025025A1

文献信息

• [EN] PYRIMIDINE PYRAZOLYL DERIVATIVES<br/>[FR] DÉRIVÉS DE PYRAZOLYL-PYRIMIDINE
  申请人：ARES TRADING SA

  公开号：WO2014008992A1

  公开（公告）日：2014-01-16

  The present invention provides compounds of Formula (I) for the treatment of cancer, rheumatoid arthritis and other diseases (I).

  本发明提供了用于治疗癌症、类风湿性关节炎和其他疾病的式(I)化合物。
• 含窒素複素環化合物及びその利用
  申请人：東洋紡株式会社

  公开号：JP2021172629A

  公开（公告）日：2021-11-01

  【課題】発光効率及び耐久性に優れた含窒素複素環化合物及びその利用に関する技術を提供する。【解決手段】含窒素複素環化合物は、式：Ｃｚ−Ｌ−Ａｒ（１）で表される化合物［式（１）中、Ｃｚは、下記式（２）：（式（２）中、Ｚは、単結合等、Ｒ２２及びＲ２７は、そ電子求引性基、Ｒ２３及びＲ２６は、電子供与性基、Ｒ２１、Ｒ２４、Ｒ２５、及びＲ２８は、Ｈ、電子求引性基、又は電子供与性基、波線は、Ｌとの結合部位）で表される基であり、Ｌは、単結合又はフェニレン基、Ａｒは、アリール基及びヘテロアリール基からなる群より選択される基。］。【選択図】なし

  提供具有优异发光效率和耐久性的含氮复杂环化合物及其应用技术。含氮复杂环化合物由以下式表示：Ｃｚ−Ｌ−Ａｒ（1）[在式（1）中，Ｃｚ表示如下式（2）：（式（2）中，Z表示单键等，R22和R27表示电子亲引基，R23和R26表示电子供给基，R21、R24、R25和R28表示H、电子亲引基或电子供给基，虚线表示与L的结合部位），L表示单键或苯基，Ar表示选自芳基和杂芳基的基。]。【选择图】无
• Prolyl Hydroxylase Inhibitors
  申请人：Colón Mariela

  公开号：US20100305133A1

  公开（公告）日：2010-12-02

  The invention described herein relates to certain quinoxaline-5-carboxamide derivatives of formula (I) which are antagonists of HIF prolyl hydroxylases and are useful for treating diseases benefiting from the inhibition of this enzyme, anemia being one example.

  本发明涉及某些式（I）的喹喔啉-5-羧酰胺衍生物，这些衍生物是HIF脯氨酸羟化酶的拮抗剂，可用于治疗受益于抑制该酶的疾病，贫血是一个例子。
• 3-(Benzo[d][1,3]dioxol-5-ylamino)-N-(4-fluorophenyl)thiophene-2-carboxamide overcomes cancer chemoresistance via inhibition of angiogenesis and P-glycoprotein efflux pump activity
  作者：Ramesh Mudududdla、Santosh K. Guru、Abubakar Wani、Sadhana Sharma、Prashant Joshi、Ram A. Vishwakarma、Ajay Kumar、Shashi Bhushan、Sandip B. Bharate

  DOI：10.1039/c5ob00233h

  日期：——

  Thiophene-2-carboxamides displayed dual inhibition of angiogenesis and P-gp efflux pumps.

  噻吩-2-甲酰胺显示出对血管生成和P-gp外流泵的双重抑制作用。
• CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS
  申请人：Janssen Pharmaceutica NV

  公开号：US20220089538A1

  公开（公告）日：2022-03-24

  Compounds of Formula (I), and pharmaceutically acceptable salts, isotopes, N-oxides, solvates, and stereoisomers thereof, pharmaceutical compositions containing them, methods of making them, and methods of using them including methods for treating disease states, disorders, and conditions associated with MGL modulation, such as those associated with pain, psychiatric disorders, neurological disorders (including, but not limited to depression, major depressive disorder, treatment resistant depression, anxious depression, autism spectrum disorders, Asperger syndrome, and bipolar disorder), cancers and eye conditions: wherein R 1 , , R 3 , and L are as defined herein.

  式(I)的化合物及其药用盐、同位素、N-氧化物、溶剂合物和立体异构体，包含它们的药物组合物，制备它们的方法以及使用它们的方法，包括用于治疗与MGL调节相关的疾病状态、疾病和症状的方法，如与疼痛、精神障碍、神经障碍（包括但不限于抑郁症、重度抑郁症、治疗抵抗性抑郁症、焦虑性抑郁症、自闭症谱系障碍、阿斯伯格综合征和躁狂症）、癌症和眼部疾病相关的疾病状态、疾病和症状：其中R1、R3和L如本文所定义。