1,3,5-三溴-2-(2,3-二溴丙氧基)苯 | 35109-60-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 1,3,5-三溴-2-(2,3-二溴丙氧基)苯
• 英文名称: 2,3-dibromopropyl 2,4,6-tribromophenyl ether
• 英文别名: 1,3,5-Tribromo-2-(2,3-dibromopropoxy)benzene
• CAS: 35109-60-5
• 化学式: C₉H₇Br₅O
• 分子量: 530.674
• InChiKey: QXWYPAKUEHGJSG-UHFFFAOYSA-N

物化性质

• 熔点：
  >37°C (dec.)
• 沸点：
  446.6±45.0 °C(Predicted)
• 密度：
  2.393±0.06 g/cm3(Predicted)
• 溶解度：
  氯仿（微溶）、乙酸乙酯（微溶）

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2909309090

反应信息

• 作为反应物：
  描述：

  1,3,5-三溴-2-(2,3-二溴丙氧基)苯 在 氢氧化钾 作用下， 生成 prop-2-ynyl-(2,4,6-tribromo-phenyl)-ether
  参考文献：
  名称：

  BROMINE DERIVATIVES OF CERTAIN MIXED ETHERS AND SOME OF THEIR REACTIONS

  摘要：

  DOI：

  10.1021/ja01354a034
• 作为产物：
  描述：

  三溴苯基烯丙基醚 在 氯仿 、 溴 作用下， 生成 1,3,5-三溴-2-(2,3-二溴丙氧基)苯
  参考文献：
  名称：

  Influence of dendrite arm spacing on the thermal conductivity of an aluminum-silicon casting alloy

  摘要：

  我们利用光声学技术和热弛豫方法测定了从铝硅铸造合金 A319 中获得的一些代表性样品的热导率。在施加单向热梯度的情况下对该材料进行凝固，以获得具有不同微观结构的样品，这些微观结构的特征是次生枝晶臂间距随着凝固速率的降低而增大。研究发现，随着二次枝晶臂间距的增大和整体枝晶周长的减小，合金的热导率也随之减小。

  DOI：

  10.1557/jmr.2000.0016

文献信息

• Flame-retardant styrene resin composition
  申请人：——

  公开号：US20040092642A1

  公开（公告）日：2004-05-13

  The present invention relates to a flame-retarded styrene-based plastic composition comprising (A) a styrene-based plastic material (B) a brominated aromatic compound having a melting point from 200° C. to 260° C. in which all bromine atoms are attached to the aromatic ring, (C) a brominated aromatic compound having a melting point above 300° C. in which all bromine atoms are attached to the aromatic ring, (D) an organic compound having at least one 2,3-dibromopropyl group, and optionally (E) antimony trioxide.

  本发明涉及一种阻燃苯乙烯基塑料组合物，包括 (A) 苯乙烯基塑料材料；(B) 一种溴化芳香族化合物，其熔点为 200 摄氏度至 260 摄氏度；(C) 一种溴化芳香族化合物，其熔点高于 300 摄氏度，其中所有溴原子都连接在芳香环上。(C) 熔点高于 300 摄氏度的溴化芳香族化合物，其中所有溴原子都连接在芳香环上； (D) 至少含有一个 2,3-二溴丙基的有机化合物；以及 (E) 三氧化锑。
• Synthesis and Characterization of 2,3-Dibromopropyl-2,4,6-tribromophenyl Ether (DPTE) and Structurally Related Compounds Evidenced in Seal Blubber and Brain
  作者：Roland von der Recke、Walter Vetter

  DOI：10.1021/es062383s

  日期：2007.3.1

  The unknown compound UBC-1 previously described as the major organobromine contamination in the blubber extract of a hooded seal (Cystophora cristata) from the Barents Sea was identified as 2,3-dibromopropyl-2,4,6-tribromophenyl ether (DPTE). DPTE, which is the main component of the brominated flame retardant (BFR) Bromkal 73-5 PE, was synthesized by electrophilic addition of bromine to allyl-2,4,6-tribromophenyl ether (ATE). The chirality of DPTE was proven by gas chromatographic enantioseparation of the synthesized racemate. On the basis of GC/ECNI-MS ion chromatograms (m/z 79 and 81), DPTE was the dominating organobromine compound in blubber and brain samples of hooded seals and harp seals (Phoca groenlandica) from the Barents and Greenland Seas. The concentrations of DPTE in blubber and brain were up to 470 and 340 mu g/kg wet weight. Next to DPTE, the natural dibromo-trichloro-monoterpene (MHC-1), the anthropogenic BDE 47 and BDE 99, as well as ATE, 3,5-dibromo-2-(2',4'-dibromo)-phenoxyanisole (6-MeO-BDE 47), 2-bromoallyl-2,4,6-tribromophenyl ether (BATE), and 4,6-dibromo-2-(2',4'-dibromo)-phenoxyanisole (2'-MeO-BDE 68) were present with decreasing relevance. BATE, which was detected for the first time in environmental samples, was synthesized from DPTE by E2 elimination. In brain samples of the harp seals, DPTE, ATE, and BATE were the most abundant organobromine compounds, whereas polybrominated diphenyl ethers (PBDEs) and MHC-1 were virtually absent. This indicated that DPTE, ATE, and BATE were able to penetrate the blood-brain barrier. The general co-occurrence of ATE and BATE in samples contaminated with DPTE support the hypothesis that these compounds are biotransformation products of DPTE. Anaerobic transformation studies of DPTE with super-reduced corrinoids resulted in the formation of ATE. Furthermore, 2,4,6-tribromophenol (TBP) and two other unknown minor transformation products were detected.
• FLAME−RETARDANT STYRENE RESIN COMPOSITION
  申请人：DAI-ICHI KOGYO SEIYAKU CO., LTD.

  公开号：EP1449879B1

  公开（公告）日：2005-11-30
• Flame-retardant sytrene resin composition
  申请人：——

  公开号：US20040242736A1

  公开（公告）日：2004-12-02

  The present invention relates to a flame-retarded plastic composition comprising (A) a styrene-based plastic material, (B) a brominated aromatic compound having a melting point from 200° C. to 260° C. in which all bromine atoms are attached to the aromatic ring, (C) a bromine-containing organic compound having at least one 2,3-dibromopropyl group, and optionally antimony trioxide.
• FLAME-RETARDED STYRENE-BASED PLASTIC COMPOSITIONS
  申请人：Onishi Hideaki

  公开号：US20070246861A1

  公开（公告）日：2007-10-25

  The present invention relates to a flame-retarded plastic composition comprising (A) a styrene-based plastic material, (B) a brominated aromatic compound having a melting point from 200° C. to 260° C. in which all bromine atoms are attached to the aromatic ring, (C) a bromine-containing organic compound having at least one 2,3-dibromopropyl group, and optionally antimony trioxide.

表征谱图