3,3’,4,4’-四溴联苯醚 | 93703-48-1

• 物质功能分类: 分析化学 - 标准品 - 有机污染物标样
• 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: 3,3’,4,4’-四溴联苯醚
• 中文别名: 3,3',4,4'-四溴联苯醚；3,3,4,4-四溴二苯醚
• 英文名称: 3,3',4,4'-tetrabromodiphenyl ether
• 英文别名: 3,3',4,4'-tetrabromodiphenylether；1,2-dibromo-4-(3,4-dibromophenoxy)benzene
• CAS: 93703-48-1
• 化学式: C₁₂H₆Br₄O
• 分子量: 485.795
• InChiKey: RYGLOWMCGZHYRQ-UHFFFAOYSA-N

物化性质

• 熔点：
  96.5-97.5 °C(Solv: ethanol (64-17-5))
• 沸点：
  434.1±45.0 °C(Predicted)
• 密度：
  2.161±0.06 g/cm3(Predicted)
• 闪点：
  -12 °C
• 溶解度：
  氯仿（微溶）、二氯甲烷（微溶）、甲醇（微溶）
• 碰撞截面：
  171.5 Ų [M-Br+O]-

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险品标志：
  Xn,F,N
• 安全说明：
  S60,S61,S62
• 危险类别码：
  R67,R38,R50/53,R11,R65
• WGK Germany：
  2
• 海关编码：
  2903999090
• 危险品运输编号：
  UN 1262 3/PG 2

反应信息

• 作为产物：
  描述：

  3,4-二溴苯胺 在 sodium hydroxide 、 三氟乙酸 、 sodium nitrite 作用下， 反应 0.83h， 生成 3,3’,4,4’-四溴联苯醚
  参考文献：
  名称：

  Synthesis of Polybrominated Diphenyl Ethers and Their Capacity to Induce CYP1A by the Ah Receptor Mediated Pathway

  摘要：

  Polybrominated diphenyl ethers (PBDEs) have become widely distributed as environmental contaminants due to their use as flame retardants. Their structural similarity to other halogenated aromatic pollutants has led to speculation that they might share toxicological properties such as hepatic enzyme induction. In this work we synthesized a number of PBDE congeners, studied their affinity for rat hepatic Ah receptor through competitive binding assays, and determined their ability to induce hepatic cytochrome P-450 enzymes by means of EROD (ethoxyresorufin-O-deethylase) assays in human, rat, chick, and rainbow trout cells. Both pure PBDE congeners and commercial PBDE mixtures had Ah receptor binding affinities 10(-2)-10(-5) times that of 2,3,7,8-tetrachlorodibenzo-p-dioxin. In contrast with polychlorinated biphenyls, Ah receptor binding affinities of PBDEs could not be related to the planarity of the molecule, possibly because the large size of the bromine atoms expands the Ah receptor's binding site. EROD activities of the PBDE congeners followed a similar rank order in all cells. Some congeners, notably PBDE 85, did not follow the usual trend in which strength of Ah receptor binding affinity paralleled P-450 induction potency. Use of the gel retardation assay with a synthetic oligonucleotide indicated that in these cases the liganded Ah receptor failed to bind to the DNA recognition Sequence.

  DOI：

  10.1021/es0107475

文献信息

• SCORCH RETARDANT HALOGENATED FLAME RETARDANT COMPOUNDS AND ARTICLES MADE THEREFROM
  申请人：PolyOne Corporation

  公开号：EP3699224A1

  公开（公告）日：2020-08-26

  A halogenated flame retardant polyethylene compound is disclosed containing at least one organic additive which presents in its molecular structure at least one nitrogen atom to serve as a scorch retardant to forestall premature crosslinking during manufacture of wire and cable insulation and/or jacketing, in order to obtain a flame retardant crosslinked polyethylene (XLPE), and especially when the XLPE material is obtained via an alkoxysilane condensation-hydrolysis step.

  本发明公开了一种卤化阻燃聚乙烯化合物，其中含有至少一种有机添加剂，该添加剂在其分子结构中至少含有一个氮原子，可作为阻燃剂防止电线电缆绝缘层和/或护套层在制造过程中过早交联，从而获得阻燃交联聚乙烯（XLPE），特别是当 XLPE 材料是通过烷氧基硅烷缩合-水解步骤获得时。
• Highly unsaturated fatty acid or highly unsaturated fatty acid ethyl ester with reduced environmental pollutants, and method for producing same
  申请人：NIPPON SUISAN KAISHA, LTD.

  公开号：US10399922B2

  公开（公告）日：2019-09-03

  A highly unsaturated fatty acid or a highly unsaturated fatty acid ethyl ester that has been produced using as a feedstock oil a fat or oil that contains highly unsaturated fatty acids as constituent fatty acids and which has been reduced in the contents of environmental pollutants, wherein among the dioxins contained, polychlorinated dibenzoparadioxins (PCDDs) and polychlorinated dibenzofurans (PCDFs) are contained in amounts of less than 0.05 pg-TEQ/g and coplanar PCBs (Co-PCBs) in amounts of less than 0.03 pg-TEQ/g. Also disclosed is a method for producing the highly unsaturated fatty acid or highly unsaturated fatty acid ethyl ester by the steps of removing free fatty acids and environmental pollutants by thin-film distillation from a feedstock oil, ethyl esterifying the resulting fat or oil, and refining the same by rectification and column chromatography.

  一种高度不饱和脂肪酸或高度不饱和脂肪酸乙酯，它是以含有高度不饱和脂肪酸作为组成脂肪酸的脂肪或油作为原料油生产的，其环境污染物含量已经降低，其中所含的二恶英中，多氯二苯并对二恶英（PCDD）和多氯二苯并呋喃（PCDF）的含量低于 0.05 pg-TEQ/g，共面多氯联苯（Co-PCB）的含量低于 0.03 pg-TEQ/g。05 pg-TEQ/g，共面多氯联苯（Co-PCBs）含量低于 0.03 pg-TEQ/g。本发明还公开了一种生产高度不饱和脂肪酸或高度不饱和脂肪酸乙酯的方法，其步骤是通过薄膜蒸馏法从原料油中去除游离脂肪酸和环境污染物，对所得脂肪或油进行乙酯化，并通过精馏和柱层析法对其进行精制。
• Bromination of triphenyloxonium cations
  作者：T. P. Tolstaya、L. N. Vanchikova、I. N. Lisichkina

  DOI：10.1007/bf00949002

  日期：1984.6
• Synthesis and Characterization of 32 Polybrominated Diphenyl Ethers
  作者：Göran Marsh、Jiwei Hu、Eva Jakobsson、Sara Rahm、Ȧke Bergman

  DOI：10.1021/es9902266

  日期：1999.9.1
• TOLSTAYA, T. P.;VANCHIKOVA, L. N.;LISICHKINA, I. N., IZV. AN CCCP. CEP. XIM., 1984, N 6, 1392-1395
  作者：TOLSTAYA, T. P.、VANCHIKOVA, L. N.、LISICHKINA, I. N.

  DOI：——

  日期：——