2-溴-3,5-二氯苯乙酮 | 53631-13-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-溴-3,5-二氯苯乙酮
• 中文别名: 2-溴-3',5'-二氯苯乙酮
• 英文名称: 2-bromo-1-(3,5-dichlorophenyl)ethan-1-one
• 英文别名: 2-bromo-3',5'-dichloroacetophenone；2-Bromo-1-(3,5-dichlorophenyl)ethanone
• CAS: 53631-13-3
• 化学式: C₈H₅BrCl₂O
• 分子量: 267.937
• InChiKey: NVDAJLDRUMPXDY-UHFFFAOYSA-N

物化性质

• 沸点：
  334.1±37.0 °C(Predicted)
• 密度：
  1.695±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2914700090
• 包装等级：
  II
• 危险类别：
  8
• 危险性防范说明：
  P260,P264,P270,P280,P301+P330+P331,P303+P361+P353,P304+P340,P305+P351+P338,P310,P363,P405,P501
• 危险品运输编号：
  3261
• 危险性描述：
  H302,H314

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-Bromo-1-(3,5-dichlorophenyl)ethanone
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: 2-Bromo-1-(3,5-dichlorophenyl)ethanone
CAS number: 53631-13-3

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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, refrigerated.
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: C8H5BrCl2O
Molecular weight: 267.9

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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：

  2-溴-3,5-二氯苯乙酮 在 sodium carbonate 作用下， 以 四氢呋喃 、 乙醇 、 水 为溶剂， 生成 2-((8-methyl-8-azabicyclo[3.2.1]octan-3-yl)thio)-4-(3,5-dichlorophenyl)thiazole
  参考文献：
  名称：

  含有噻唑部分的新型氮杂双环衍生物的合成及其对松材线虫的生物活性

  摘要：

  摘要 为了探索具有杀线虫活性的新骨架，设计、合成了一系列含有噻唑部分的新型氮杂双环衍生物并评价了它们的杀线虫活性。针对松材线虫 (Bursaphelenchus xylophilus) 的生物测定结果表明，大多数标题化合物在 40 mg/L 的浓度下显示出杀线虫活性。特别是，标题化合物 2-((8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy)-4-(4-chlorophenyl)thiazole (7e), 2-((8-methyl-8 -氮杂双环[3.2.1]辛基-3-基)硫基)-4-苯基噻唑(10a)和2-((8-甲基-8-氮杂双环[3.2.1]辛基-3-基)硫基)-4- (4-氯苯基)噻唑 (10e) 对松材线虫的死亡率超过 90%。图形概要

  DOI：

  10.1080/10426507.2019.1700260
• 作为产物：
  描述：

  3’,5’-二氯苯乙酮 在 N-溴代丁二酰亚胺(NBS) 、 对甲苯磺酸 作用下， 以 乙酸乙酯 为溶剂， 反应 12.0h， 生成 2-溴-3,5-二氯苯乙酮
  参考文献：
  名称：

  氮杂双环衍生物及其制备和应用

  摘要：

  本发明涉及一种氮杂双环衍生物及其制备和应用。具体地，本发明公开了式(A)所示结构的化合物或其农药学上可接受的盐，式(A)化合物详见说明书。该化合物对线虫具有优异的杀灭作用。

  公开号：

  CN105315279B

文献信息

• [EN] CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE<br/>[FR] INHIBITEURS DE LA CÉRAMIDE GALACTOSYLTRANSFÉRASE POUR LE TRAITEMENT DE MALADIES
  申请人：BIOMARIN PHARM INC

  公开号：WO2017214505A1

  公开（公告）日：2017-12-14

  Described herein are compounds, methods of making such compounds, pharmaceutical compositions and medicaments containing such compounds, and methods of using such compounds to treat or prevent diseases or disorders associated with the enzyme ceramide galactosyltransferase (CGT), such as, for example, lysosomal storage diseases. Examples of lysosomal storage diseases include, for example, Krabbe disease and Metachromatic Leukodystrophy.

  本文描述了化合物、制备这种化合物的方法、含有这种化合物的药物组合物和药物、以及使用这种化合物治疗或预防与酶神经鞘糖脂转移酶（CGT）相关的疾病或紊乱的方法，例如溶酶体贮积症。溶酶体贮积症的例子包括 Krabbe 病和白质变性白血病。
• [EN] OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF<br/>[FR] COMPOSÉS OXADIAZINE ET LEURS MÉTHODES D'UTILISATION
  申请人：FORUM PHARMCEUTICALS INC

  公开号：WO2016201168A1

  公开（公告）日：2016-12-15

  The present disclosure relates to oxadiazine compounds, pharmaceutical compositions comprising an effective amount of an oxadiazine compound and methods for using an oxadiazine compound in the treatment of a neurodegenerative disease, comprising administering to a subject in need thereof an effective amount of an oxadiazine compound.

  本公开涉及恶二嗪化合物，包含有效量的恶二嗪化合物的药物组合物，以及使用恶二嗪化合物治疗神经退行性疾病的方法，包括向需要其的受试者施用有效量的恶二嗪化合物。
• Discovery of the Oxadiazine FRM-024: A Potent CNS-Penetrant Gamma Secretase Modulator
  作者：Matthew G. Bursavich、Bryce A. Harrison、Raksha Acharya、Donald E. Costa、Emily A. Freeman、Lori A. Hrdlicka、Hong Jin、Sudarshan Kapadnis、Jeffrey S. Moffit、Deirdre Murphy、Scott J. Nolan、Holger Patzke、Cuyue Tang、Hilliary E. Van Voorhies、Melody Wen、Gerhard Koenig、Jean-François Blain、Duane A. Burnett

  DOI：10.1021/acs.jmedchem.1c00904

  日期：2021.10.14

  The recent approval of aducanumab for Alzheimer’s disease has heightened the interest in therapies targeting the amyloid hypothesis. Our research has focused on identification of novel compounds to improve amyloid processing by modulating gamma secretase activity, thereby addressing a significant biological deficit known to plague the familial form of the disease. Herein, we describe the design, synthesis

  最近批准用于治疗阿尔茨海默病的 aducanumab 提高了人们对针对淀粉样蛋白假说的治疗的兴趣。我们的研究重点是鉴定新化合物，通过调节 γ 分泌酶活性来改善淀粉样蛋白的加工，从而解决已知困扰家族性疾病的显着生物学缺陷。在此，我们描述了基于先前报道的恶二嗪1的新型 γ 分泌酶调节剂 (GSM) 的设计、合成和优化。以预测和测量特性为重点的效力改进提供了通过稳健的 Aβ 42进一步区分的高质量化合物啮齿动物和非人类灵长类动物的减少。广泛的临床前分析、功效研究和安全性研究导致提名 FRM-024, (+)- cis -5-(4-chlorophenyl)-6-cyclopropyl-3-(6-methoxy-5-(4-methyl) -1 H -imidazole-1-yl)pyridin-2-yl)-5,6-dihydro-4 H -1,2,4-oxadiazine，作为家族性阿尔茨海默病的
• Fungicidal arylpyrazoles
  申请人：Rhone-Poulenc Agrochimie

  公开号：US05945382A1

  公开（公告）日：1999-08-31

  The present invention relates to new derivatives of the family of 3-arylpyrazoles of formula (I), their methods of preparation, the compositions containing them and their utilization for the protection of plants against fungal diseases. ##STR1##

  本发明涉及公式(I)的3-芳基吡唑家族的新衍生物，它们的制备方法，含有它们的组合物以及它们用于保护植物免受真菌病害的利用。
• Phenylethanolamine derivatives and acid addition salts thereof for the
  申请人：American Cyanamid Company

  公开号：US04407819A1

  公开（公告）日：1983-10-04

  There is provided a method for increasing lean meat deposition and/or improving lean meat to fat ratio in poultry, domestic pets, sheep, swine, rabbits, goats and cattle by administering, orally or parenterally, to said animals an effective amount of a phenylethane derivative or acid salt thereof.

  提供了一种方法，通过向家禽、家畜、绵羊、猪、兔、山羊和牛口服或静脉注射苯乙烷衍生物或其酸盐的有效量，以增加瘦肉沉积和/或改善瘦肉与脂肪比例。