1-溴-3-氯-2,4-二氟苯 | 201849-13-0

• 物质功能分类: 医药中间体 - 原料药中间体
• 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-氯-2,4-二氟苯
• 中文别名: 3-氯-2,4-二氟溴苯；2,4-二氟-3-氯溴苯
• 英文名称: 1-bromo-3-chloro-2,4-difluorobenzene
• 英文别名: 3-Chloro-2,4-difluoro-bromobenzene
• CAS: 201849-13-0
• 化学式: C₆H₂BrClF₂
• 分子量: 227.436
• InChiKey: LVPMWOPCTHLVRH-UHFFFAOYSA-N

物化性质

• 沸点：
  193℃
• 密度：
  1.805
• 闪点：
  70℃

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2903999090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  室温且干燥环境中保存。

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 1-Bromo-3-chloro-2,4-difluorobenzene
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-chloro-2,4-difluorobenzene
CAS number: 201849-13-0

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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: C6H2BrClF2
Molecular weight: 227.4

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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 fluoride, 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

2,4-二氟-3-氯溴苯可以作为有机合成中间体和医药中间体，广泛应用于实验室研发和化工生产的各个阶段。

反应信息

• 作为反应物：
  描述：

  1-溴-3-氯-2,4-二氟苯 在 盐酸 、 正丁基锂 、 CO₂ 作用下， 以 水 为溶剂， 生成 3-氯-2,4-二氟苯甲酸
  参考文献：
  名称：

  Antimicrobial quinolones, their compositions and uses

  摘要：

  这项发明涉及一种新型抗微生物化合物，其化学式为; 其中X、R1、R3、R5、R6和R8在权利要求中有定义，以及它们的光学异构体、二对映异构体或对映体，以及这些化合物的药用盐、水合物、可生物水解的酯、酰胺和亚酰胺，以及这些化合物的组合物和用途。该发明还涉及从这些化合物衍生的具有抗微生物作用的化合物。

  公开号：

  US06329391B1
• 作为产物：
  描述：

  1-溴-2,4-二氟苯 在 正丁基锂 、 二异丙胺 、 六氯丙酮 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 2.08h， 生成 1-溴-3-氯-2,4-二氟苯
  参考文献：
  名称：

  [EN] ANTIMICROBIAL AZA-BICYCLIC DERIVATES, THEIR COMPOSITIONS AND USES
  [FR] QUINOLONES ANTI-MICROBIENS, LEURS COMPOSITIONS ET UTILISATION

  摘要：

  公开号：

  WO2004014893A3

文献信息

• [EN] NAPHT- 2 -YLACETIC ACID DERIVATIVES TO TREAT AIDS<br/>[FR] DÉRIVÉS D'ACIDE NAPHT-2-YLACÉTIQUE DANS LE TRAITEMENT DU SIDA
  申请人：GILEAD SCIENCES INC

  公开号：WO2012003497A1

  公开（公告）日：2012-01-05

  The invention provides compounds of formula (I): or a salt thereof as described herein. The invention also provides pharmaceutical compositions comprising a compound of formula I, processes for preparing compounds of formula (I), intermediates useful for preparing compounds of formula I and therapeutic methods for treating the proliferation of the HIV virus, treating AIDS or delaying the onset of AIDS or ARC symptoms in a mammal using compounds of formula (I).

  这项发明提供了如下式（I）的化合物或其盐。该发明还提供了包括如下式I的化合物的药物组合物，制备如下式（I）化合物的方法，用于制备如下式I化合物的有用中间体，以及使用如下式（I）化合物治疗HIV病毒的增殖、治疗艾滋病或延缓哺乳动物发生艾滋病或ARC症状的治疗方法。
• [EN] KRAS G12C INHIBITORS<br/>[FR] INHIBITEURS DE KRAS G12C
  申请人：MIRATI THERAPEUTICS INC

  公开号：WO2020146613A1

  公开（公告）日：2020-07-16

  The present invention relates to compounds that inhibit KRas G12C. In particular, the present invention relates to compounds that irreversibly inhibit the activity of KRas G12C, pharmaceutical compositions comprising the compounds and methods of use therefor.

  本发明涉及抑制KRas G12C的化合物。特别是，本发明涉及不可逆地抑制KRas G12C活性的化合物，包括含有这些化合物的药物组合物及其用途方法。
• [EN] GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTORS<br/>[FR] COMPOSÉS AMIDE DE QUINUCLIDINE À SUBSTITUANTS GÉMINAL, EN TANT QU'AGONISTES DES RÉCEPTEURS NICOTINIQUES DE L'ACÉTYLCHOLINE Α7
  申请人：FORUM PHARMACEUTICALS INC

  公开号：WO2016100184A1

  公开（公告）日：2016-06-23

  The present invention relates to novel geminal substituted quinuclidine amide compounds, and pharmaceutical compositions of the same, that are suitable as agonists or partial agonists of α7- nAChR, and methods of preparing these compounds and compositions, and the use of these compounds and compositions in methods of maintaining, treating and/or improving cognitive function. In particular, methods of administering the compound or composition to a patient in need thereof, for example a patient with a cognitive deficiency and/or a desire to enhance cognitive function, that may derive a benefit therefrom.

  本发明涉及新型的伏立康定酰胺化合物，以及相应的药物组合物，其适用于作为α7-nAChR的激动剂或部分激动剂，并且涉及制备这些化合物和组合物的方法，以及在维持、治疗和/或改善认知功能的方法中使用这些化合物和组合物，特别是将该化合物或组合物用于需要的患者的给药方法，例如患有认知缺陷和/或希望增强认知功能的患者，这些患者可能从中获益。
• [EN] 5-OXOPYRROLIDINE-3-CARBOXAMIDES AS NAV1.8 INHIBITORS<br/>[FR] 2-OXOIMIDAZOLIDINE-3-CARBOXAMIDES UTILES EN TANT QU'INHIBITEURS DE NAV1.8
  申请人：MERCK SHARP & DOHME

  公开号：WO2021257420A1

  公开（公告）日：2021-12-23

  Novel compounds of the structural formula (I), and the pharmaceutically acceptable salts thereof, are inhibitors of Nav1.8 channel activity and may be useful in the treatment, prevention, management, amelioration, control and suppression of diseases mediated by Nav1.8 channel activity. The compounds of the present invention may be useful in the treatment, prevention or management of pain disorders, cough disorders, acute itch disorders, and chronic itch disorders.

  结构式（I）的新化合物及其药用盐是Nav1.8通道活性的抑制剂，可能对通过Nav1.8通道活性介导的疾病的治疗、预防、管理、改善、控制和抑制具有用处。本发明的化合物可能对疼痛障碍、咳嗽障碍、急性瘙痒障碍和慢性瘙痒障碍的治疗、预防或管理有用。
• 2-OXOIMIDAZOLIDINE-4-CARBOXAMIDES AS NAV1.8 INHIBITORS
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20210403457A1

  公开（公告）日：2021-12-30

  Novel compounds of the structural formula (I), and the pharmaceutically acceptable salts thereof, are inhibitors of Na v 1.8 channel activity and may be useful in the treatment, prevention, management, amelioration, control and suppression of diseases mediated by Na v 1.8 channel activity. The compounds of the present invention may be useful in the treatment, prevention or management of pain disorders, cough disorders, acute itch disorders, and chronic itch disorders.

  结构式（I）的新化合物及其药用盐是Nav1.8通道活性的抑制剂，可能在治疗、预防、管理、改善、控制和抑制由Nav1.8通道活性介导的疾病中有用。本发明的化合物可能在治疗、预防或管理疼痛障碍、咳嗽障碍、急性瘙痒障碍和慢性瘙痒障碍中有用。