1-溴-3-环戊烯苯 | 19920-77-5

• 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: 1-溴-3-环戊烯苯
• 中文别名: 1-溴-3-环戊烯基苯
• 英文名称: 1-bromo-3-(cyclopenten-1-yl)benzene
• 英文别名: 1-(m-Bromphenyl)-cyclopenten；1-(3-Brom-phenyl)-cyclopenten；3-(cyclopent-1-enyl)bromobenzene；1-bromo-3-cyclopentenylbenzene
• CAS: 19920-77-5
• 化学式: C₁₁H₁₁Br
• 分子量: 223.112
• InChiKey: USXUPETZMALJMA-UHFFFAOYSA-N

物化性质

• 沸点：
  284.1±29.0 °C(Predicted)
• 密度：
  1.391±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 海关编码：
  2903999090

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1-Bromo-3-cyclopentenylbenzene
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: 1-Bromo-3-cyclopentenylbenzene
CAS number: 19920-77-5

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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: C11H11Br
Molecular weight: 223.1

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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 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：

  1-溴-3-环戊烯苯 在 palladium on activated charcoal 氢气 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 3-cyclopentyl-benzoic acid
  参考文献：
  名称：

  Electrical effects of cycloalkyl groups

  摘要：

  DOI：

  10.1021/ja01015a021
• 作为产物：
  描述：

  1-(3-bromophenyl)cyclopentanol 在 碘 作用下， 生成 1-溴-3-环戊烯苯
  参考文献：
  名称：

  Electrical effects of cycloalkyl groups

  摘要：

  DOI：

  10.1021/ja01015a021

文献信息

• BACE INHIBITORS
  申请人：AUDIA James Edmund

  公开号：US20110009395A1

  公开（公告）日：2011-01-13

  The present invention provides BACE inhibitors of Formula I: methods for their use, intermediates, and methods for their preparation.

  本发明提供了式I的BACE抑制剂：使用它们的方法、中间体以及它们的制备方法。
• Facile Generation of a Strained Cyclic Vinyl Cation by Thermal Solvolysis of Cyclopent-1-enyl-λ³-bromanes
  作者：Kazunori Miyamoto、Motoo Shiro、Masahito Ochiai

  DOI：10.1002/anie.200903368

  日期：2009.11.9

  Last of the cyclic vinyl cations: The simple solvolysis of cyclopent‐1‐enyl‐λ3‐bromane efficiently generates the highly strained cyclopent‐1‐enyl cation at room temperature (see scheme). The very high nucleofugality of the aryl‐λ3‐bromanyl groups are responsible for this unique unimolecular dissociation.

  最后环状乙烯阳离子：的简单溶剂分解环戊-1-烯基- λ 3 -bromane有效地产生在室温下高应变环戊-1-烯基阳离子（参见方案）。芳基- λ的非常高的nucleofugality 3 -bromanyl组负责这种独特的单分子离解。
• PYRAZOLOPYRIMIDINYL INHIBITORS OF UBIQUITIN-ACTIVATING ENZYME
  申请人：Millennium Pharmaceuticals, Inc.

  公开号：US20130217682A1

  公开（公告）日：2013-08-22

  Disclosed are chemical entities that inhibit ubiquitin-activating enzyme (UAE), each of which is a compound of Formula I: or a pharmaceutically acceptable salt thereof, wherein Y is and W, Z, X Y , R Y1 , R Y2 and R Y3 are defined herein; pharmaceutical compositions comprising the chemical entities; and methods of using the chemical entities. These chemical entities are useful for treating disorders, particularly cell proliferation disorders, including cancers.

  本文披露了抑制泛素激活酶（UAE）的化学实体，每个化学实体都是式I的化合物：或其药用可接受的盐，其中Y是，W、Z、XY、RY1、RY2和RY3在此有定义；包括这些化学实体的药物组合物；以及使用这些化学实体的方法。这些化学实体可用于治疗疾病，特别是细胞增殖紊乱，包括癌症。
• Pyrazolopyrimidinyl inhibitors of ubiquitin-activating enzyme
  申请人：Millennium Pharmaceuticals, Inc.

  公开号：US10202389B2

  公开（公告）日：2019-02-12

  Disclosed are chemical entities that inhibit ubiquitin-activating enzyme (UAE), each of which is a compound of Formula I: or a pharmaceutically acceptable salt thereof, wherein Y is and W, Z, XY, RY1, RY2 and RY3 are defined herein; pharmaceutical compositions comprising the chemical entities; and methods of using the chemical entities. These chemical entities are useful for treating disorders, particularly cell proliferation disorders, including cancers.

  所公开的是抑制泛素激活酶（UAE）的化学实体，其中每一种都是式 I 的化合物： 或其药学上可接受的盐，其中 Y 是 和 W、Z、XY、RY1、RY2 和 RY3 的定义；包含这些化学实体的药物组合物；以及使用这些化学实体的方法。这些化学实体可用于治疗疾病，特别是细胞增殖疾病，包括癌症。
• US8278441B2
  申请人：——

  公开号：US8278441B2

  公开（公告）日：2012-10-02