3-氯羰基苯硼酸酐 | 332154-58-2

• 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: 3-氯羰基苯硼酸酐
• 中文别名: (3-(氯羰基)苯基)硼酸
• 英文名称: 3-(chlorocarbonyl)phenyl boronic acid
• 英文别名: 3-Chlorocarbonylphenylboronic Acid；(3-carbonochloridoylphenyl)boronic acid
• CAS: 332154-58-2
• 化学式: C₇H₆BClO₃
• mdl: MFCD08062412
• 分子量: 184.387
• InChiKey: AIHGXUQQIIYAJP-UHFFFAOYSA-N

物化性质

• 熔点：
  252-254℃

计算性质

• 辛醇/水分配系数(LogP)：
  1.63
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xn
• 海关编码：
  2918300090
• 包装等级：
  II
• 危险类别：
  8
• 危险性防范说明：
  P301+P330+P331,P303+P361+P353,P363,P304+P340,P310,P321,P260,P264,P280,P305+P351+P338,P405,P501
• 危险品运输编号：
  3261
• 危险性描述：
  H314

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 3-Chlorocarbonylphenylboronic anhydride
Synonyms: 3-Boronobenzoyl chloride

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H301: Toxic if swallowed
H315: Causes skin irritation
H319: Causes serious eye irritation
H335: May cause respiratory irritation
Avoid breathing dust/fume/gas/mist/vapours/spray
P261:
P280: Wear protective gloves/protective clothing/eye protection/face protection
P301+P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
P405: Store locked up

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Section 3. Composition/information on ingredients.
Ingredient name: 3-Chlorocarbonylphenylboronic anhydride
CAS number: 332154-58-2

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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.
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
Appearance: Not specified
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C7H4BClO2
Molecular weight: 166.4

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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.

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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-氯羰基苯硼酸酐 、 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以32 %的产率得到
  参考文献：
  名称：

  通过点击探针捕获在分枝杆菌细胞表面成像抗结核二聚硼酸

  摘要：

  二聚硼酸通过靶向分枝杆菌特异性细胞外聚糖杀死结核分枝杆菌( Mtb )，消除了对渗透复杂细胞包膜的治疗剂的需求。在这里，我们报告了新的“可点击”硼酸探针的成功开发和使用，这是一种强大的方法，可以直接检测和可视化这种独特的细胞表面靶向抗结核药物。

  DOI：

  10.1039/d2cc02407a
• 作为产物：
  描述：

  3-羧基苯硼酸 在 草酰氯 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 生成 3-氯羰基苯硼酸酐
  参考文献：
  名称：

  苯硼酸官能化的热敏嵌段共聚物的合成及其在分离和纯化邻邻二醇化合物中的应用

  摘要：

  以PEO20PPO60PEO20为模板制备了苯硼酸官能化的两亲热敏嵌段共聚物，并对其在下游分离过程中的性能进行了详细的研究。茜素红是...

  DOI：

  10.1039/c6ra16327k

文献信息

• 標的化ナノ粒子
  申请人：カリフォルニア インスティテュート オブ テクノロジー

  公开号：JP2019108371A

  公开（公告）日：2019-07-04

  【課題】薬剤を有効かつ特異的に送達するためのナノ粒子の提供。【解決手段】ポリオール含有ポリマーを含む担体ナノ粒子であって、ボロン酸含有ポリマー、特にニトロフェニルボロン酸基を含有するポリマーが前記ポリオール含有ポリマーと可逆的共有結合でカップリングしている。前記ナノ粒子は、外部環境に前記ボロン酸含有ポリマーを提示するようになっている。前記ボロン酸含有ポリマーは、前記ナノ粒子と反対の末端において標的リガンドにコンジュゲートしている。【選択図】図１６

  提供有效且特异递送药物的纳米粒子。载体纳米粒子包含聚醇含有聚合物，其中含有硼酸聚合物，特别是含有硝基苯硼酸基的聚合物与聚醇含有聚合物可逆地共价结合耦合。这些纳米粒子被设计成在外部环境中呈现硼酸聚合物。硼酸聚合物与纳米粒子相反末端处与靶向配体结合。【图选】图1.6
• TARGETED NANOPARTICLES
  申请人：CALIFORNIA INSTITUTE OF TECHNOLOGY

  公开号：US20140249202A1

  公开（公告）日：2014-09-04

  Described herein are carrier nanoparticles comprising a polymer containing a polyol coupled to a polymer containing a boronic acid, configured to present the polymer containing a boronic acid to an environment external to the nanoparticle. Targeted versions of the described nanoparticles are also described, as are related compositions, methods and systems.

  本文描述了一种载体纳米颗粒，其中包含一个含有多元醇的聚合物，与一个含有硼酸的聚合物偶联，配置为将含有硼酸的聚合物呈现给纳米颗粒外部的环境。还描述了所述纳米颗粒的靶向版本，以及相关的组合物、方法和系统。
• NANOPARTICLES STABILIZED WITH NITROPHENYLBORONIC ACID COMPOSITIONS
  申请人：CALIFORNIA INSTITUTE OF TECHNOLOGY

  公开号：US20140249203A1

  公开（公告）日：2014-09-04

  Described herein are carrier nanoparticles comprising a polymer containing a polyol coupled to a polymer containing a boronic acid, configured to present the polymer containing a boronic acid to an environment external to the nanoparticle. Targeted versions of the described nanoparticles are also described, as are related compositions, methods and systems.

  本文描述了一种载体纳米颗粒，其中包含一个含有多元醇的聚合物和一个含有硼酸的聚合物，设计用于将含有硼酸的聚合物呈现给纳米颗粒外部的环境。还描述了所述纳米颗粒的定向版本，以及相关的组合物、方法和系统。
• [EN] TARGETED NANOPARTICLES<br/>[FR] NANOPARTICULES CIBLÉES
  申请人：CALIFORNIA INST OF TECHN

  公开号：WO2014133547A1

  公开（公告）日：2014-09-04

  Described herein are carrier nanoparticles comprising a polymer containing a polyol coupled to a polymer containing a boronic acid, configured to present the polymer containing a boronic acid to an environment external to the nanoparticle. Targeted versions of the described nanoparticles are also described, as are related compositions, methods and systems.

  本文描述了包含聚醇偶联的聚合物和含硼酸的聚合物的载体纳米颗粒，设计用于将含硼酸的聚合物呈现给纳米颗粒外部环境。还描述了所述纳米颗粒的靶向版本，以及相关的组合物、方法和系统。
• ニトロフェニルボロン酸組成物によって安定化したナノ粒子
  申请人：カリフォルニア インスティテュート オブ テクノロジー

  公开号：JP2018058868A

  公开（公告）日：2018-04-12

  【課題】目的の化合物を送達するためのナノキャリア粒子の提供。【解決手段】ボロン酸含有ポリマーにカップリングしたポリオール含有ポリマーを含むナノ粒子。このナノ粒子は、ボロン酸含有ポリマーがこのナノ粒子の外部の環境に存在するように構成されるナノ粒子。ナノ粒子の標的化バージョン及び関連の組成物、方法およびシステム。【選択図】図１

  提供纳米载体颗粒，用于传递目标化合物。含有硼酸聚合物和聚醇聚合物耦合的纳米颗粒。这些纳米颗粒设计成硼酸聚合物存在于纳米颗粒外部环境中。纳米颗粒的靶向版本以及相关的组合物、方法和系统。【选择图】图1