2,4-二溴-6-氟苯甲醛 | 205683-34-7

• 物质功能分类: 有机原料 - 有机氟化合物 - 氟苯甲醛系列
• 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: 2,4-二溴-6-氟苯甲醛
• 英文名称: 2,4-dibromo-6-fluorobenzaldehyde
• 英文别名: 2,4-Dibromo-6-fluoro-benzaldehyde
• CAS: 205683-34-7
• 化学式: C₇H₃Br₂FO
• 分子量: 281.907
• InChiKey: NPIPUNOMXYMQHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  11
• 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：
  2

安全信息

• 危险品标志：
  Xi
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2,4-Dibromo-6-fluorobenzaldehyde
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: 2,4-Dibromo-6-fluorobenzaldehyde
CAS number: 205683-34-7

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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: C7H3Br2FO
Molecular weight: 281.9

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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 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

反应信息

• 作为反应物：
  描述：

  2,4-二溴-6-氟苯甲醛 在 硫酸 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 甲醇 、 乙醚 为溶剂， 反应 2.0h， 生成 1,5-dibromo-2-(dimethoxymethyl)-4-(dimethylsilyl)-3-fluorobenzene
  参考文献：
  名称：

  功能化苯并硅氧烷的合成与转化

  摘要：

  报道了一系列带有合成有用的甲酰基和氰基的氟化苯并硅氧烷的合成和表征。这些化合物是通过从简单的卤代苯开始的多步合成获得的。一般的合成方案基于生成邻硼化芳基二甲基硅烷，由于相邻硼基团激活 Si-H 键，该硅烷在水解后发生脱氢环化。在某些情况下，相邻硼基和硅基官能团的协同作用导致 CHO 基团在温和的水性条件下发生意外的氢化硅烷化。在相对于硼原子的邻位带有甲酰基的苯并硅氧烷衍生物的还原导致结构转变，反映了碳硼杂环相对于其硅对应物的更高稳定性。因此，分离出一种独特的杂环系统，其特征在于包含两个硼硅氧烷键的中心 10 元环。

  DOI：

  10.1002/ejoc.201601328
• 作为产物：
  描述：

  1,3-二溴-5-氟苯 、 N,N-二甲基甲酰胺 在 lithium diisopropyl amide 、 硫酸 作用下， 以 四氢呋喃 、 乙醚 、 水 为溶剂， 反应 1.0h， 以84%的产率得到2,4-二溴-6-氟苯甲醛
  参考文献：
  名称：

  功能化苯并硅氧烷的合成与转化

  摘要：

  报道了一系列带有合成有用的甲酰基和氰基的氟化苯并硅氧烷的合成和表征。这些化合物是通过从简单的卤代苯开始的多步合成获得的。一般的合成方案基于生成邻硼化芳基二甲基硅烷，由于相邻硼基团激活 Si-H 键，该硅烷在水解后发生脱氢环化。在某些情况下，相邻硼基和硅基官能团的协同作用导致 CHO 基团在温和的水性条件下发生意外的氢化硅烷化。在相对于硼原子的邻位带有甲酰基的苯并硅氧烷衍生物的还原导致结构转变，反映了碳硼杂环相对于其硅对应物的更高稳定性。因此，分离出一种独特的杂环系统，其特征在于包含两个硼硅氧烷键的中心 10 元环。

  DOI：

  10.1002/ejoc.201601328

文献信息

• [EN] TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS<br/>[FR] AGENTS ANTI-BACTERIENS A BASE DE TETRAHYDROQUINOLINE TRICYCLIQUE
  申请人：UPJOHN CO

  公开号：WO2004031195A1

  公开（公告）日：2004-04-15

  The invention includes tetrahydroquinoline and related compounds of formula (I), and pharmaceutical compositions thereof, that exhibit useful antibacterial activity against a wide range of human and veterinary pathogens.

  该发明包括式(I)的四氢喹啉及相关化合物，以及展现出对广泛的人类和兽医病原体具有有用抗菌活性的药物组合物。
• Aralkyl and aralkylidene heterocyclic lactams and imides
  申请人：——

  公开号：US20020049214A1

  公开（公告）日：2002-04-25

  The present invention relates to compounds of the formula I 1 wherein R 1 , R 2 , R 3 , X, Y and the dashed line are as defined in the specification, to intermediates for their preparation, to pharmaceutical compositions containing them and to their medicinal use as psychotherapeutic agents.

  本发明涉及公式I1中的化合物，其中R1、R2、R3、X、Y和虚线如规范中所定义，以及用于它们制备的中间体，含有它们的药物组合物以及它们作为精神治疗剂的药用。
• ARALKYL AND ARALKYLIDENE HETEROCYCLIC LACTAMS AND IMIDES
  申请人：Pfizer Inc.

  公开号：US20020091117A1

  公开（公告）日：2002-07-11

  The present invention relates to compounds of the formula 1 wherein R 1 , R 2 , R 3 , X, Y and the dashed line are defined as in the specification, to intermediates for their preparation, to pharmaceutical compositions containing them and to their medicinal use. These compounds are useful as psychotherapeutic agents.

  本发明涉及公式1的化合物，其中R1、R2、R3、X、Y和虚线在说明书中有定义，以及其制备的中间体，含有它们的制药组合物和它们的药用用途。这些化合物可用作心理治疗剂。
• Tricyclic tetrahydroquinoline antibacterial agents
  申请人：——

  公开号：US20040162279A1

  公开（公告）日：2004-08-19

  The invention includes tetrahydroquinoline and related compounds of formula I, and pharmaceutical compositions thereof, that exhibit useful antibacterial activity against a wide range of human and veterinary pathogens.

  该发明涉及式I的四氢喹啉及相关化合物，以及其制备的药物组合物，对人类和兽医病原体具有有用的抗菌活性。
• TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS
  申请人：Barbachyn Michael Robert

  公开号：US20100022524A1

  公开（公告）日：2010-01-28

  The invention includes tetrahydroquinoline and related compounds of formula I, and pharmaceutical compositions thereof, that exhibit useful antibacterial activity against a wide range of human and veterinary pathogens.

  该发明涉及公式I的四氢喹啉及相关化合物，以及其制备的药物组合物，对于广泛的人类和兽医病原体具有有用的抗菌活性。