1,2,3-Tribromo-4-(4-bromophenoxy)benzene | 40088-48-0

• 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: 1,2,3-Tribromo-4-(4-bromophenoxy)benzene
• CAS: 40088-48-0；446254-31-5
• 化学式: C₁₂H₆Br₄O
• 分子量: 485.79
• InChiKey: ARERIMFZYPFJAV-UHFFFAOYSA-N

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

ADMET

代谢

多溴联苯可以通过口服、吸入和皮肤途径被吸收。一旦进入人体，它们会分布到全身并在血液、母乳和脂肪组织中生物累积。PBDE的代谢程度取决于溴化的程度。代谢过程被认为涉及脱溴和甲基化，产生酚类代谢物。代谢和未代谢的PDBE化合物主要通过粪便排出体外。

Polybrominated biphenyls can be absorbed through oral, inhalation, and dermal routes. Once in the body they distribute throughout and bioaccumulate in the blood, breast milk, and adipose tissue. The extent of PBDE metabolism depends on the degree of bromination. Metabolism is believed to involve debromination and methylation, resulting in phenolic metabolites. Metabolized and unmetabolized PDBE compounds are excreted mainly in the faeces. (L628, L881)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 毒性总结

像其他卤代芳烃一样，多溴联苯醚会与细胞中的芳烃受体（AhR）结合，该受体调控多种蛋白质的合成。AhR的激活会诱导一系列酶的产生，包括细胞色素P-450依赖的单加氧酶CYP1A和CYP2B家族、UDP-葡萄糖醛酸基转移酶以及乙氧基 resorufin-O-脱乙基酶。PBDEs还被认为是干扰甲状腺激素的产生、传输和处置。其中一种机制涉及PBDEs的代谢物与甲状腺素竞争结合 transthyretin，降低血清甲状腺激素水平。甲状腺激素水平的变化与甲状腺毒性和神经行为改变有关。某些PBDEs及其代谢物也是内分泌干扰物，可能作为雌激素受体的激动剂或雄激素和孕酮受体的拮抗剂。

Like other halogenated aromatic hydrocarbons, polybrominated diphenyl ethers bind to the cellular aryl hydrocarbon receptor (AhR), which regulates the synthesis of a variety of proteins. Activation of the AhR induces a number of enzymes, including cytochrome P-450-dependent monooxygenases of the CYP1A and CYP2B families, UDP-glucuronosyltransferase, and ethoxyresorufin-o-deethylase. PBDEs are also believed to disrupt the production, transport, and disposition of thyroid hormones. One mechanism of this involves metabolites ot PDBEs competing with thyroxine to bind to transthyretin, decreasing serum thyroid hormone levels. This change in thyroid hormone levels has been linked to both thyroid toxicity and neurobehavioral alterations. Certain PDBEs and their metabolites are also endocrine disruptors and may act as agonists at the estrogen receptors or antagonists at the androgen and progesterone receptors. (L628, A262)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 致癌物分类

对人类无致癌性（未列入国际癌症研究机构IARC清单）。

No indication of carcinogenicity to humans (not listed by IARC).

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 健康影响

多溴联苯醚可能影响甲状腺和肝脏。动物研究也表明，多溴联苯醚可以导致神经行为改变并影响免疫系统。

Polybrominated diphenyl ethers may affect the thyroid gland and liver. Animals studies have also shown that PDBEs can cause neurobehavioral alterations and affect the immune system. (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

• 最低风险水平

中间吸入：0.006 毫克/立方米（L134） 急性口服：0.03 毫克/千克/天（L134） 中间口服：0.007 毫克/千克/天（L134）

Intermediate Inhalation: 0.006 mg/m3 (L134) Acute Oral: 0.03 mg/kg/day (L134) Intermediate Oral: 0.007 mg/kg/day (L134)

来源:Toxin and Toxin Target Database (T3DB)

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。