2-氯-6-溴苯甲醛 | 64622-16-8

• 物质功能分类: 有机原料 - 醛类化合物
• 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: 2-氯-6-溴苯甲醛
• 中文别名: 2-溴-6-氯苯甲醛；2-氯-6-溴-苯甲醛
• 英文名称: 2-bromo-6-chlorobenzaldehyde
• 英文别名: 2-chloro-6-bromobenzaldehyde
• CAS: 64622-16-8
• 化学式: C₇H₄BrClO
• 分子量: 219.465
• InChiKey: NUGMENVSVAURGO-UHFFFAOYSA-N

物化性质

• 熔点：
  74-76℃
• 沸点：
  258.8±20.0 °C(Predicted)
• 密度：
  1.698±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2913000090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  2~8℃

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
2-Bromo-6-chlorobenzaldehyde
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.
2-Bromo-6-chlorobenzaldehyde
Ingredient name:
CAS number: 64622-16-8

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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: C7H4BrClO
Molecular weight: 219.5

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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

制备方法与用途

2-氯-6-溴苯甲醛是一种用途广泛的精细化工产品，广泛应用于医药、农药、食品香料与香精、石油工业以及电镀等领域。此外，它还可用于制备抗菌药和抗咳喘药，表现出显著的抑菌作用，尤其对大肠杆菌、枯草杆菌及金黄色葡萄球菌等具有很好的抑制效果。

反应信息

• 作为反应物：
  描述：

  2-氯-6-溴苯甲醛 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 potassium carbonate 、 一水合肼 、 溶剂黄146 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 1-chlorophenanthrene
  参考文献：
  名称：

  신규한 화합물 및 이를 포함하는 유기 발광 소자

  摘要：

  本说明书涉及化学式1的化合物以及包含该化合物的有机发光器件。

  公开号：

  KR20170136440A
• 作为产物：
  描述：

  2-氯苯甲醛 在 N-溴代丁二酰亚胺(NBS) 、 2-氨基-5-氯三氟甲苯 、 palladium diacetate 作用下， 以 1,2-二氯乙烷 、 三氟乙酸 为溶剂， 反应 24.0h， 以76%的产率得到2-氯-6-溴苯甲醛
  参考文献：
  名称：

  通过单齿瞬态导向基团策略钯催化苯甲醛的邻位-C（sp 2）-H溴化

  摘要：

  开发了一种简便有效的单齿瞬态定向基团策略，以实现钯催化苯甲醛的邻位-C（sp 2）-H溴化。通过使用2-氨基-5-氯三氟甲苯作为单齿的瞬态导向基团，将宽范围的苯甲醛转化为所需的产物，证明了良好的官能团耐受性。温和的反应条件和不需要银盐也是该策略的特征。

  DOI：

  10.1016/j.tetlet.2019.151263

文献信息

• Direct synthesis of dialkylarylvinylsilane derivatives: metathesis of dialkylaryl-iso-propenylsilane and its application to tetracyclic silacycle dye synthesis
  作者：Shohei Yoshioka、Tsunayoshi Takehara、Tsuyoshi Matsuzaki、Takeyuki Suzuki、Hirofumi Tsujino、Tadayuki Uno、Yasuo Tsutsumi、Kenichi Murai、Hiromichi Fujioka、Mitsuhiro Arisawa

  DOI：10.1039/c9cc06777a

  日期：——

  The metathesis of dialkylarylvinylsilane, which has not been accomplished to date, is achieved using dialkylaryl-iso-propenylsilane as a substrate. In addition, we discovered that the reason why the metathesis of a ruthenium carbene complex and dialkylarylvinylsilane is difficult is the formation of a carbide complex.

  使用二烷基芳基-异丙烯基硅烷作为底物可以实现迄今为止尚未完成的二烷基芳基乙烯基硅烷的复分解反应。另外，我们发现钌卡宾配合物和二烷基芳基乙烯基硅烷难以复分解的原因是碳化物配合物的形成。
• Effect of organic solvents on solvatochromic, fluorescence, and electrochemical properties of synthesized thiazolylcoumarin derivatives
  作者：Ali Bahadur、Shahid Iqbal、Rabail Ujan、Pervaiz Ali Channar、Murefah Mana AL‐Anazy、Aamer Saeed、Qaiser Mahmood、Muhammad Shoaib、Mazloom Shah、Ifzan Arshad、Ghulam Shabir、Muhammad Saifullah、Guocong Liu、Muhammad Abdul Qayyum

  DOI：10.1002/bio.4044

  日期：——

  of thiazolylcoumarin derivatives with bioactive scaffolds was confirmed through nuclear magnetic resonance spectroscopy. A solvatochromic study of synthesized thiazolylcoumarin derivatives was carried out using ultraviolet–visible methods for dimethylformamide (DMF), ethyl acetate, and ethanol solvents. The redox behaviour of as-synthesized thiazolylcoumarin derivatives (5a–5k) was examined in dimethyl

  在本研究中，噻唑基香豆素衍生物 ( 5a – 5k ) 是由氨基硫脲、乙酰乙酸乙酯和萘醛通过多步路线合成的。通过核磁共振光谱证实了具有生物活性支架的噻唑基香豆素衍生物的形成。使用紫外-可见方法对二甲基甲酰胺 (DMF)、乙酸乙酯和乙醇溶剂进行了合成的噻唑基香豆素衍生物的溶剂化变色研究。合成的噻唑基香豆素衍生物 ( 5a – 5k)的氧化还原行为) 通过电化学研究在二甲基亚砜中进行检测。在 DMF、乙醇和乙酸乙酯中研究了噻唑基香豆素衍生物的荧光特性，以观察溶剂对噻唑基香豆素衍生物发光能力的影响。
• [EN] PYRAZOLOPYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER<br/>[FR] DÉRIVÉS DE PYRAZOLOPYRIDINE POUR LE TRAITEMENT DU CANCER
  申请人：GENENTECH INC

  公开号：WO2017205538A1

  公开（公告）日：2017-11-30

  The present invention relates to a compound formula (I): and to salts thereof, wherein R1, R2X, and Y have any of the values defined herein, and compositions and uses thereof. The compounds are useful as inhibitors of CBP and/or EP300. Also included are pharmaceutical compositions comprising a compound of formula (I) or a pharmaceutically acceptable salt thereof, and methods of using such compounds and salts in the treatment of various CBP and/or EP300-mediated disorders such as cancer, inflammatory disorders and autoimmune diseases.

  本发明涉及一种化合物公式（I）及其盐，其中R1、R2X和Y具有本文中定义的任何值，以及其组合物和用途。这些化合物可用作CBP和/或EP300的抑制剂。还包括包含公式（I）化合物或其药学上可接受的盐的药物组合物，以及在治疗各种CBP和/或EP300介导的疾病，如癌症、炎症性疾病和自身免疫疾病中使用这些化合物和盐的方法。
• Copper-catalyzed (4+1) and (3+2) cyclizations of iodonium ylides with alkynes
  作者：Hao Liang、Xiaobo He、Yaqi Zhang、Bin Chen、Jia-sheng Ouyang、Yongsu Li、Bendu Pan、Chitreddy V. Subba Reddy、Wesley Ting Kwok Chan、Liqin Qiu

  DOI：10.1039/d0cc04373g

  日期：——

  The copper(II)-catalyzed (4+1) cyclizations and copper(I)-catalyzed (3+2) cycloadditions of iodonium ylides and alkynes were successfully developed by employing efficient and safe iodonium ylides instead of traditional diazo compounds. Highly functionalized dimethyl (E)-3-benzylideneindoline-2,2-dicarboxylates and methyl 5-(2-hydroxyphenyl)-2-methoxy-4-phenylfuran-3-carboxylates were conveniently prepared

  通过使用高效，安全的碘鎓碘化物代替传统的重氮化合物，成功开发了铜（II）催化的（4 + 1）环化反应和铜（I）催化的碘化碘化物和炔烃的环加成反应。方便地以中等至优异的产率制备高度官能化的二甲基（E）-3-亚苄基吲哚啉-2，2-二羧酸酯和5-（2-羟基苯基）-2-甲氧基-4-苯基呋喃-3-羧酸甲酯。还讨论了可能的反应机理。
• [EN] COMPOUNDS<br/>[FR] COMPOSÉS
  申请人：GLAXO GROUP LTD

  公开号：WO2012067663A1

  公开（公告）日：2012-05-24

  The present invention features compounds of formula (I): and salts thereof, pharmaceutical compositions comprising said compounds, and uses of such compounds in treating or preventing viral infections, such as HCV infections, and diseases associated with such infections.

  本发明涉及式(I)的化合物及其盐，包括所述化合物的药物组合物，以及利用这些化合物治疗或预防病毒感染，如HCV感染，以及与此类感染相关的疾病。