双环[2.2.1]庚-2-烯-2-基硼酸 | 871333-98-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 硼酸衍生物
• 中文名称: 双环[2.2.1]庚-2-烯-2-基硼酸
• 中文别名: 2-降冰片烯-2-硼酸
• 英文名称: bicyclo[2.2.1]-2-hepten-2-ylboronic acid
• 英文别名: bicyclo[2.2.1]hept-2-en-2-ylboronic acid；2-bicyclo[2.2.1]hept-2-enylboronic acid
• CAS: 871333-98-1
• 化学式: C₇H₁₁BO₂
• 分子量: 137.974
• InChiKey: USTOMIGLBPEIBM-UHFFFAOYSA-N

物化性质

• 熔点：
  124-126
• 沸点：
  286.3±23.0℃ (760 Torr)
• 密度：
  1.16±0.1 g/cm3 (20 ºC 760 Torr)
• 闪点：
  127.0±22.6℃

计算性质

• 辛醇/水分配系数(LogP)：
  0.35
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Bicyclo[2.2.1]hept-2-en-2-ylboronic acid
Product Name:
Synonyms: 2-Norbornen-2-ylboronic acid;

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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.
Bicyclo[2.2.1]hept-2-en-2-ylboronic acid
Ingredient name:
CAS number: 871333-98-1

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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.
Store in closed vessels, under −20◦C.
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
Not specified
Appearance:
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C7H11BO2
Molecular weight: 138.0

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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.

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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：

  双环[2.2.1]庚-2-烯-2-基硼酸 在 四(三苯基膦)钯 、 sodium carbonate 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 36.0h， 生成
  参考文献：
  名称：

  过渡金属配合物、聚合物、混合物、组合物及有机电子器件

  摘要：

  本发明公开了一种过渡金属配合物，如通式(1)所示，其中G选自环烷烃或笼状基团，笼状基团以一价阴离子的形式与金属中心配位获得更稳定的配合物结构。按照本发明所述的过渡金属配合物用于OLED中，特别是作为发光层掺杂材料，不仅能提供较高的发光效率和器件寿命，也能提高器件的亮度和电流效率，并同时降低启动电压令器件寿命提高。

  公开号：

  CN113045606A

文献信息

• TRPV3 Modulators
  申请人：Clapham Bruce

  公开号：US20120245124A1

  公开（公告）日：2012-09-27

  Disclosed herein are modulators of TRPV3 of formula (I) wherein X 1 , X 2 , R 1 , R 2 , R x , and n are as defined in the specification. Compositions comprising such compounds and methods for treating conditions and disorders using such compounds and compositions are also presented.

  本文披露了TRPV3调节剂的公式（I），其中X1，X2，R1，R2，Rx和n如规范中所定义。还提供了包含这种化合物的组合物以及使用这种化合物和组合物治疗疾病和疾病的方法。
• TRPV3 modulators
  申请人：Clapham Bruce

  公开号：US09012651B2

  公开（公告）日：2015-04-21

  Disclosed herein are modulators of TRPV3 of formula (I) wherein X1, X2, R1, R2, Rx, and n are as defined in the specification. Compositions comprising such compounds and methods for treating conditions and disorders using such compounds and compositions are also presented.

  本文揭示了TRPV3调节剂的化学式（I），其中X1、X2、R1、R2、Rx和n的定义如规范中所述。还提供了包含这种化合物的组合物以及使用这种化合物和组合物治疗疾病和病症的方法。
• Inhibitors of viral replication, their process of preparation and their therapeutical uses
  申请人：LABORATOIRE BIODIM

  公开号：US09260395B2

  公开（公告）日：2016-02-16

  The present invention relates to compounds of formula (I), their the treatment or the prevention of viral disorders, including HIV.

  本发明涉及式（I）化合物，其用于治疗或预防病毒性疾病，包括艾滋病。
• Inhibitors of Viral Replication, Their Process of Preparation and Their Therapeutical Uses
  申请人：LABORATOIRE BIODIM

  公开号：US20150274673A1

  公开（公告）日：2015-10-01

  The present invention relates to compounds of formula (I), their the treatment or the prevention of viral disorders, including HIV.

  本发明涉及式(I)化合物，其用于治疗或预防病毒性疾病，包括艾滋病。
• BENZOXAZEPINE DERIVATIVES AND USE THEREOF
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP2123644B1

  公开（公告）日：2014-12-17