1,1'-Biphenyl, 2,3,4,5,6-pentabromo- | 56307-79-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,1'-Biphenyl, 2,3,4,5,6-pentabromo-
• 英文别名: 1,2,3,4,5-pentabromo-6-phenylbenzene
• CAS: 56307-79-0
• 化学式: C₁₂H₅Br₅
• 分子量: 548.7
• InChiKey: IUJGENMYAVALTR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• 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：
  0

ADMET

代谢

多溴联苯（PBBs）可以通过口服、吸入和皮肤途径被吸收。由于它们的亲脂性，尤其是高溴代的多溴联苯，倾向于在富含脂质的组织中积累，如肝脏、脂肪、皮肤和母乳。某些多溴联苯化合物通过由苯巴比妥诱导的细胞色素P-450类型的微粒体单加氧酶系统进行代谢。代谢速率可能取决于溴取代模式。低溴含量的多溴联苯同系物转化为主要在尿液中排出的羟基衍生物。高溴代同系物要么被保留，要么在粪便中不变排出。(L628)

PBBs can be absorbed via oral, inhalation, and dermal routes. Due to their lipophilic nature, PBBs, especially the highly brominated congeners, tend to accumulate in lipid-rich tissues such as the liver, adipose, skin, and breast milk. Certain PBB compounds are metabolized by the microsomal monooxygenase system catalyzed by cytochrome P-450 of the type induced by phenobarbital. The rate of metabolism may depends on the bromine substitution pattern. PBB congeners of low bromine content are transformed into hydroxylated derivatives that are predominately eliminated in the urine. Highly brominated congeners are either retained or excreted unchanged in the feces. (L628)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 毒性总结

多氯联苯（PBBs）的毒性机制因具体同系物而异。主要的相互作用被认为是涉及芳基烃受体（AhR）。PBBs与AhR结合并激活它，进而启动一系列基因的转录上调，影响生化途径和内分泌途径、细胞周期调节、形态发生、氧化应激反应以及各种其他过程。这导致PBBs特有的多种毒性反应。一些已知的诱导基因包括细胞色素P-450依赖性单加氧酶CYP1A1和CYP1A2。

The exact mechanism of toxicty of PBBs varies depending on the specific congener. The predominant interaction is believed to involve the aryl hydrocarbon receptor (AhR). PBBs bind to and activate the AhR, which in turn initiates the transcriptional upregulation of a number of genes, affecting biochemical and endocrine pathways, cell cycle regulation, morphogenesis, oxidative stress response, and various other processes. This results in the numerous toxic responses characteristic of PBBs. Some of the known induced genes include the cytochrome P-450-dependent monooxygenases CYP1A1 and CYP1A2. (L628)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 致癌物分类

2A，可能对人类致癌。（L135）

2A, probably carcinogenic to humans. (L135)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 健康影响

PBB暴露可能会导致体重减轻、皮肤问题（如痤疮）、神经和免疫系统的影响，以及对肝脏、肾脏和甲状腺的影响。

PBB exposure may cause weight loss, skin disorders (such as acne), nervous and immune systems effects, and effects on the liver, kidneys, and thyroid gland. (L628)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 暴露途径

口服（L628）；吸入（L628）；皮肤给药（L628）

Oral (L628) ; inhalation (L628) ; dermal (L628)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 症状

PBB暴露的症状可能包括恶心、腹痛、食欲不振、关节痛、疲劳和虚弱。

Symptoms of PBB exposure may include nausea, abdominal pain, loss of appetite, joint pain, fatigue, and weakness. (L629)

来源:Toxin and Toxin Target Database (T3DB)

文献信息

• Polymer polyols containing halogenated aromatic monomers
  申请人：ARCO Chemical Technology, L.P.

  公开号：EP0478332A1

  公开（公告）日：1992-04-01

  Novel polymer polyols based on halogenated aromatic monomers such as tribromostyrene give polyurethane foams with improved flame retardant properties. For example, replacing conventional SAN polymer polyols with tribromostyrene (TBS)/acrylonitrile polymer polyols allows the preparation of polyurethane foams passing British Standard 5852, Part 2, Ignition Source 5 Combustion Test and having better ASTM E-906 values without the need for solid fillers such as melamine or aluminum trihydrate, although these and other flame retardant additives may be optionally employed as well. Elimination of these fillers also provides other improvements such as superior strength and better compression set properties. The TBS dispersions may also be used in conjunction with melamine to eliminate the need for liquid fire retardant additives.

  基于卤代芳香族单体（如三溴苯乙烯）的新型聚合物多元醇可使聚氨酯泡沫的阻燃性能得到改善。例如，用三溴苯乙烯（TBS）/丙烯腈聚合物多元醇取代传统的 SAN 聚合物多元醇，可以制备出通过英国标准 5852 第 2 部分点火源 5 燃烧测试的聚氨酯泡沫，并且具有更好的 ASTM E-906 值，而无需使用三聚氰胺或三水铝等固体填充剂，尽管也可以选择使用这些填充剂和其他阻燃添加剂。不使用这些填料还能带来其他方面的改进，如更高的强度和更好的压缩永久变形性能。TBS 分散体还可与三聚氰胺一起使用，从而无需使用液体阻燃添加剂。
• Flame-retardant thermoplastic composition
  申请人：ENICHEM S.p.A.

  公开号：EP0523790A1

  公开（公告）日：1993-01-20

  Flame-retardant thermoplastic composition including: A) a styrene polymer; B) a poly(phenylene)ether; C) a sufficient quantity to give flame-resistant properties, classifiable at least in group V2, according to the UL-94 method, of a synergetic mixture including (i) red phosphorous and (ii) an inorganic compound containing phosphorous and nitrogen; and D) possibly, an anti-dripping agent.

  阻燃热塑性塑料组合物，包括 A) 苯乙烯聚合物 B) 聚亚苯基醚 C) 根据 UL-94 方法，足够数量的协同混合物（包括(i) 红磷和 (ii) 含磷和氮的无机化合物）可提供至少 V2 组阻燃性能；以及 D) 可能的话，一种防滴剂。
• Catalyst component for the polymerisation of olefins and process for preparing olefin polymers using same
  申请人：NIPPON OIL COMPANY, LIMITED

  公开号：EP0587440A2

  公开（公告）日：1994-03-16

  A catalyst component for use in the polymerization or copolymerization of olefin(s) is obtained by contacting the following components (1) to (4) with one another: (1) a compound of the general formula Me¹R¹p(OR²)qX¹4-p-q where R¹ is a hydrocarbon radical having 1 to 24 carbon atoms, X¹ is a halogen atom, Me¹ is Zr, Ti or Hf, and n is 0 ≦ n ≦ 4; (2) a compound of the general formula Me²R³m(OR⁴)nX²z-m-n where R² is a hydrocarbon radical having 1 to 24 carbon atoms, X² is a halogen atom, Me² is an element from Groups I to III in the Periodic Table, z is the valence of Me² and m is 0 ≦ m ≦ z; (3) an organocyclic compound having two or more conjugated double bonds; and (4) a modified organoaluminum compound containing Al-O-Al bond and with at least one branched-chain alkyl group being attached to aluminum atom.

  将下列组分（1）至（4）相互接触，可得到用于烯烃聚合或共聚的催化剂组分： (1) 通式为 Me¹R¹p(OR²)qX¹4-p-q的化合物 其中，R¹为具有 1 至 24 个碳原子的烃基；X¹为卤素原子；Me¹为 Zr、Ti 或 Hf；n 为 0 ≦ n ≦ 4； (2) 通式为 Me²R³m(OR⁴)nX²z-m-n的化合物，其中 R²为具有 1 至 24 个碳原子的烃基；X²为卤素原子；Me²为元素周期表中第 I 至 III 族的元素；z 为 Me²的化合价；m 为 0 ≦ m ≦ z； (3) 具有兩個或以上共轭双键的有机环化合物；及 (4) 含 Al-O-Al 键且至少有一个支链烷基与铝原子相连的改性有机铝化合物。
• Reinforced, flame-resistant thermoplastic composition
  申请人：ENICHEM S.p.A.

  公开号：EP0691374A1

  公开（公告）日：1996-01-10

  Reinforced, flame-resistant thermoplastic composition consisting of: (A) a polymeric matrix consisting of an olefinic or styrene (co)polymer; (B) a quantity which is sufficient to give flame resistance properties, of an intumescent flame-retarding agent consisting of a mixture of (i) a compound containing nitrogen, insoluble in water, consisting of an oligomer or polymer of a derivative of 1,3,5-triazine and (ii) an ammonium phosphate, and (C) from 5 to 50% by weight with respect to the total composition of a phosphorite having a phosphorous content, expressed as BPL (Bone Phosphate of Lime) of more than 40% by weight.

  增强型阻燃热塑性塑料组合物，包括(A) 由烯烃或苯乙烯（共）聚合物组成的聚合物基体；(B) 足以提供阻燃性能的膨胀型阻燃剂，该阻燃剂由以下混合物组成：(i) 不溶于水的含氮化合物，由 1，3，5-三嗪衍生物的低聚物或聚合物组成；(ii) 磷酸铵；以及 (C) 磷酸盐，其磷含量（以 BPL（石灰骨磷酸盐）表示）按重量计超过 40%，占总成分的 5%至 50%。
• OLEFIN OLIGOMERIZATION CATALYST AND PROCESS FOR THE PREPARATION OF OLEFIN OLIGOMER USING IT
  申请人：NIPPON OIL COMPANY, LTD.

  公开号：EP0758563A1

  公开（公告）日：1997-02-19

  An oligomerization catalyst according to the invention comprises a nickel compound (A); an organophosphoric compound (B); an organoaluminum compound (C); and a compound of the group consisting of carbon-halogen bond-containing compounds, oxoacid and salts thereof, sulfonic acid and derivatives thereof, and compounds of any of the formulae QX4n, QRn, QR'n, QX4lRm, QX4lR'm, QRlR'm, Q1(BR4)p and R''(BR4) wherein Q is an element of the group consisting of Mg, Ti, Zr, B and Sn, Q1 is an element of the group consisting of Li, Na, K, Ca and Zn, X4 is a halogen or hydrogen atom, R is a C1-C12 hydrocarbon group, R' is a C1-C12 oxygen-containing hydrocarbon groiup, R'' is a C1-C20 hydrocarbon group or an ammonium group, n is a valence of Q, l, m is a natural member that satisfied n=l+m, and p is a valence of Q1. This catalyst is useful for the production of alpha-olefinic oligomers.

  根据本发明的低聚催化剂包括镍化合物（A）；有机磷化合物（B）；有机铝化合物（C）；以及由以下物质组成的一组化合物：含碳-卤素键化合物、氧酸及其盐、磺酸及其衍生物，以及式 QX4n、QRn、QR'n、QX4lRm、QX4lR'm、QRlR'm、Q1(BR4)p 和 R''(BR4)中任何一种的化合物 其中 Q 是由镁、钛、锆、硼和锡组成的组中的元素、X4 是卤素或氢原子，R 是 C1-C12 烃基，R'是 C1-C12 含氧烃基，R''是 C1-C20 烃基或铵基，n 是 Q 的化合价，l、m 是满足 n=l+m 的自然数，p 是 Q1 的化合价。这种催化剂可用于生产α-烯烃低聚物。