1,2,3-三溴-5-氟苯 | 3925-78-8

• 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: 1,2,3-三溴-5-氟苯
• 英文名称: 2,4,6-Tribromofluorobenzene
• 英文别名: 1,3,5-tribromo-2-fluorobenzene；1-Fluoro-2,4,6-tribromo-benzol；2,4,6-Tribromfluorbenzol；1,3,5-Tribrom-2-fluor-benzol
• CAS: 3925-78-8
• 化学式: C₆H₂Br₃F
• 分子量: 332.792
• InChiKey: CRHDGBZNQSKBRS-UHFFFAOYSA-N

物化性质

• 熔点：
  98 °C
• 沸点：
  260.9±35.0 °C(Predicted)
• 密度：
  2.3899 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 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：
  1

安全信息

• 海关编码：
  2903999090

SDS

1,3,5-三溴-2-氟苯MSDS英文版

反应信息

• 作为反应物：
  描述：

  乙酸-D1 、 1,2,3-三溴-5-氟苯 在 重水 、 锌 作用下， 生成 2,4,6-trideuterofluorobenzene
  参考文献：
  名称：

  Notes - Substitution of Halogens by Deuterium in Organic Compounds Without Undesired Exchange of Hydrogen by Deuterium

  摘要：

  DOI：

  10.1021/jo01113a601
• 作为产物：
  描述：

  2,4,6-三溴苯胺 在 盐酸 、 tetrafluoroboric acid 、 sodium nitrite 作用下， 生成 1,2,3-三溴-5-氟苯
  参考文献：
  名称：

  Microwave Determination of the Structure of Fluorobenzene

  摘要：

  3D-, 4D-, and 2,4,6 D3-fluorobenzene have been prepared. Their microwave spectra have been recorded and analyzed. Values of their rotational constants together with known values of the rotational constants of ordinary fluorobenzene do not suffice for an unambiguous calculation of the 11 geometrical parameters of the molecule but by assistance from valence theory a small number of fairly probable models may be pointed out.

  DOI：

  10.1063/1.1743237

文献信息

• HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME
  申请人：Samsung Display Co., Ltd.

  公开号：US20210359219A1

  公开（公告）日：2021-11-18

  Provided are a heterocyclic compound represented by Formula 1 and an organic light-emitting device including the same. The organic light-emitting device includes: a first electrode; a second electrode facing the first electrode; and an organic layer between the first electrode and the second electrode and including an emission layer, wherein the organic light-emitting device includes at least one heterocyclic compound represented by Formula 1.

  提供了由化学式1表示的杂环化合物和包括该化合物的有机发光器件。有机发光器件包括：第一电极；面向第一电极的第二电极；以及位于第一电极和第二电极之间的有机层，其中有机层包括一个发射层，有机发光器件包括至少一个由化学式1表示的杂环化合物。
• Preparation process of fluorine subsituted aromatic compound
  申请人：Mitsui Chemicals, Inc.

  公开号：EP1013629A1

  公开（公告）日：2000-06-28

  A preparation process of a fluorine substituted aromatic compound comprising reacting an alkali metal or alkali earth metal salt of an aromatic compound having a hydroxy group with an organic fluorinating agent is disclosed. As a representative fluorinating agent, a bis-dialkylaminodifluoromethane compound, for example, 2,2'-difluoro-1,3-dimethylimidazolidine, is exemplified. According to the process, an industrially useful fluorinated aromatic compound, for example, a fluorobenzene, a fluorine substituted benzophenone, a fluorine substituted diarylsulfone can be prepared with ease in economy without specific equipment.

  本发明公开了一种氟取代芳香族化合物的制备工艺，该工艺包括使具有羟基的芳香族化合物的碱金属盐或碱土金属盐与有机氟化剂反应。作为氟化剂的代表，举例说明了一种双二烷基氨基二氟甲烷化合物，例如 2,2'-二氟-1,3-二甲基咪唑烷。 根据该工艺，工业上有用的氟化芳烃化合物，例如氟苯、氟取代的二苯甲酮、氟取代的二元砜，无需特定设备即可轻松制备，经济实惠。
• Structure-activity relationships of a series of benzothiophene-derived NPY Y1 antagonists: Optimization of the C-2 side chain
  作者：Thomas C. Britton、Patrick G. Spinazze、Philip A. Hipskind、Dennis M. Zimmerman、Hamideh Zarrinmayeh、Douglas A. Schober、Donald R. Gehlert、Robert F. Bruns

  DOI：10.1016/s0960-894x(99)00019-0

  日期：1999.2

  A series of benzo[b]thiophene-derived NPY-1 receptor antagonists is described. Systematic modification of the C-2 substituent afforded a 1000-fold range in Y1 receptor affinity. Appropriate substitution at the ortho and para positions of the C-2 phenyl ether produced a synergistic effect on Y1 binding affinity, which led to the discovery of the most active ligands, 12t (K-i = 15 nM), 12u (K-i = 11 nM), and 12v (K-i = 13 nM). (C) 1999 Elsevier Science Ltd. An rights reserved.
• Photochemical bromination of arenes. 2. Fluorobenzene derivatives[1]
  作者：Roger Bolton、Elaine SE Owen

  DOI：10.1016/s0022-1139(00)82925-5

  日期：1990.3
• Pavlath; Olah, Acta Chimica Academiae Scientiarum Hungaricae, 1957, vol. 10, p. 227,229
  作者：Pavlath、Olah

  DOI：——

  日期：——