1-溴-2-溴甲基-4-氯苯 | 66192-24-3

• 物质功能分类: 有机原料 - 烃类化合物及其衍生物 - 芳香烃
• 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-2-溴甲基-4-氯苯
• 中文别名: 2-溴-5-氯溴苄；1-溴-2-(溴甲基)-4-氯苯
• 英文名称: 2-bromo-5-chlorobenzyl bromide
• 英文别名: 1-bromo-2-(bromomethyl)-4-chlorobenzene
• CAS: 66192-24-3
• 化学式: C₇H₅Br₂Cl
• mdl: MFCD09743743
• 分子量: 284.378
• InChiKey: UTKGZXVMMFBCJC-UHFFFAOYSA-N

物化性质

• 熔点：
  63-64°C
• 沸点：
  281.5±25.0 °C(Predicted)
• 密度：
  1.933
• 溶解度：
  氯仿（微溶）、乙酸乙酯（微溶）

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 海关编码：
  2903999090
• 危险性防范说明：
  P280,P305+P351+P338,P310
• 危险性描述：
  H302,H315,H319,H332,H335
• 储存条件：
  2-8°C

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1-Bromo-2-(bromomethyl)-4-chlorobenzene
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-2-(bromomethyl)-4-chlorobenzene
CAS number: 66192-24-3

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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: C7H5Br2Cl
Molecular weight: 284.4

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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, 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-2-溴甲基-4-氯苯 以 乙醇 为溶剂， 生成 methyl 3-(2-bromo-5-chlorophenyl)propanoate
  参考文献：
  名称：

  DE2733868

  摘要：

  公开号：
• 作为产物：
  描述：

  2，5-二氯甲苯 在 N-溴代丁二酰亚胺(NBS) 、 过氧化苯甲酰 作用下， 以 四氯化碳 为溶剂， 反应 4.0h， 生成 1-溴-2-溴甲基-4-氯苯
  参考文献：
  名称：

  WO2008/11032

  摘要：

  公开号：
• 作为试剂：
  描述：

  、 2-溴-5-氯甲苯 、 N-溴代丁二酰亚胺(NBS) 、 过氧化苯甲酰 在 1-溴-2-溴甲基-4-氯苯 、 resultant precipitate 作用下， 以 四氯化碳 为溶剂， 反应 4.0h， 以to afford the title compound (45%)的产率得到1-溴-2-溴甲基-4-氯苯
  参考文献：
  名称：

  Tetracyclic indole derivatives as antiviral agents

  摘要：

  本发明涉及公式（I）的四环吲哚化合物，其中R1、R2、A、Ar、W、X、Y和Z的定义如下，以及其药学上可接受的盐，包括它们的药物组成物，并用于治疗或预防丙型肝炎病毒感染的用途。

  公开号：

  US20060100262A1

文献信息

• Design, synthesis and in vitro antitumor evaluation of novel pyrazole-benzimidazole derivatives
  作者：Bo Ren、Rong-Chun Liu、Kegong Ji、Jiang-Jiang Tang、Jin-Ming Gao

  DOI：10.1016/j.bmcl.2021.128097

  日期：2021.7

  A series of novel pyrazole-benzimidazole derivatives (6-42) have been designed, synthesized and evaluated for their in vitro antiproliferative activity against the HCT116, MCF-7 and Huh-7 cell lines. Among them, compounds 17, 26 and 35 showed significant antiproliferative activity against HCT116 cell lines with the IC50 values of 4.33, 5.15 and 4.84 μM, respectively. Moreover, fluorescent staining

  一系列新的吡唑苯并咪唑衍生物（的6 - 42）已经被设计，合成并评价了它们的体外对抗HCT116的抗增殖活性，MCF-7和的Huh-7细胞系。其中，化合物17，26和35显示出显著抗增殖活性针对与IC HCT116细胞系50 4.33，5.15和4.84μM的值，分别。此外，荧光染色研究表明，化合物17可以诱导癌细胞凋亡。流式细胞术分析表明，化合物17可以在 G0/G1 期诱导细胞周期停滞。总而言之，这些结果表明，吡唑-苯并咪唑衍生物可以作为有希望的化合物，用于进一步研究开发新型高效的癌症治疗剂。
• [EN] AUTOTAXIN INHIBITORS COMPRISING A HETEROAROMATIC RING-BENZYL-AMIDE-CYCLE CORE<br/>[FR] INHIBITEURS DE L'AUTOTAXINE CONTENANT UN NOYAU À CYCLE BENZYLE-AMIDE CYCLIQUE HÉTÉROAROMATIQUE
  申请人：NOVARTIS AG

  公开号：WO2015008230A1

  公开（公告）日：2015-01-22

  The present invention relates to novel compounds that are autotaxin inhibitors, processes for their preparation, pharmaceutical compositions and medicaments containing them and to their use in diseases and disorders mediated by autotaxin.

  本发明涉及新型化合物，这些化合物是自体磷脂酶抑制剂，涉及它们的制备方法，含有它们的药物组合物和药物，以及它们在由自体磷脂酶介导的疾病和紊乱中的应用。
• NEW PHENYLAZETIDINECARBOXYLATE OR -CARBOXAMIDE COMPOUNDS
  申请人：INVENTIVA

  公开号：US20170066717A1

  公开（公告）日：2017-03-09

  The invention relates to compounds of formula (I). where R, R 1 , R 2 , n, A and Cy have the meanings indicated in the description. The compounds of formula (I) are Nurr-1 modulators.

  这项发明涉及式(I)的化合物。 其中R、R1、R2、n、A和Cy的含义如描述中所示。 式(I)的化合物是Nurr-1调节剂。
• ANTIVIRAL COMPOUNDS
  申请人：Gilead Sciences, Inc.

  公开号：US20140178336A1

  公开（公告）日：2014-06-26

  The disclosure is related to anti-viral compounds, compositions containing such compounds, and therapeutic methods that include the administration of such compounds, as well as to processes and intermediates useful for preparing such compounds.

  该披露涉及抗病毒化合物，含有这种化合物的组合物，包括给予这种化合物的治疗方法，以及用于制备这种化合物的有用过程和中间体。
• ^<i>t</i>BuOK-Promoted Cyclization of Imines with Aryl Halides
  作者：Ya-Wei Li、Hong-Xing Zheng、Bo Yang、Xiang-Huan Shan、Jian-Ping Qu、Yan-Biao Kang

  DOI：10.1021/acs.orglett.0c01615

  日期：2020.6.5

  A transition-metal-free indole synthesis using radical coupling of 2-halotoluenes and imines via the later-stage C–N bond construction was reported for the first time. It includes an aminyl radical generation by C–H cleaving addition of 2-halotoluenes to imines via the carbanion radical relay and an intramolecular coupling of aryl halides with aminyl radicals. One standard condition can be used for

  首次报道了使用2-卤代甲苯和亚胺通过后期的C-N键结构进行自由基偶联的无过渡金属吲哚合成方法。它包括通过碳氢自由基中继基团通过CH裂解加成亚胺基的2-卤代甲苯和氨基卤化物与胺基自由基的分子内偶联而产生的胺基自由基。一个标准条件可用于所有卤化物，包括F，Cl，Br和I。不需要额外的氧化剂或过渡金属。