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2,4-二溴联苯 | 53592-10-2

中文名称
2,4-二溴联苯
中文别名
二溴联苯
英文名称
2,4-dibromobiphenyl
英文别名
2,4-dibromo-1,1'-biphenyl;2,4-Dibrom-biphenyl;2,4-dibromo-1-phenylbenzene
2,4-二溴联苯化学式
CAS
53592-10-2
化学式
C12H8Br2
mdl
——
分子量
312.004
InChiKey
BWVLLEHUUJBZMR-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 沸点:
    235 °C(Press: 15 Torr)
  • 密度:
    1.667±0.06 g/cm3(Predicted)
  • 溶解度:
    氯仿(微溶)、甲醇(微溶)

计算性质

  • 辛醇/水分配系数(LogP):
    5.3
  • 重原子数:
    14
  • 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)

安全信息

  • 海关编码:
    2903999010
  • 储存条件:
    室温和干燥环境

SDS

SDS:18f6d98eb2a276a8b365aeaf8b8d60f9
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上下游信息

  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    2,4-二溴联苯 在 copper-magnesium alloy 、 乙醚 作用下, 生成 2-bromo-biphenyl-4-carboxylic acid
    参考文献:
    名称:
    The Preparation of 3,4-Dibromodiphenyl
    摘要:
    DOI:
    10.1021/ja01298a047
  • 作为产物:
    描述:
    2,4-二溴苯胺盐酸 作用下, 生成 2,4-二溴联苯
    参考文献:
    名称:
    The Synthesis of 4- and 5-Phenylresorcinols. The “Positive” Bromine of the Dibromobiphenyls
    摘要:
    DOI:
    10.1021/ja01870a053
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文献信息

  • Silver-Catalyzed Arylation of (Hetero)arenes by Oxidative Decarboxylation of Aromatic Carboxylic Acids
    作者:Jian Kan、Shijun Huang、Jin Lin、Min Zhang、Weiping Su
    DOI:10.1002/anie.201408630
    日期:2015.2.9
    arylation of heteroarenes by oxidative decarboxylation of aromatic carboxylic acids. To address this challenge, the silver‐catalyzed intermolecular Minisci reaction of aromatic carboxylic acids was developed. With an inexpensive silver salt as a catalyst, this new reaction enables a variety of aromatic carboxylic acids to undergo decarboxylative coupling with electron‐deficient arenes or heteroarenes regardless
    Minisci反应的长期挑战是通过芳族羧酸的氧化脱羧实现杂芳基的芳基化。为了应对这一挑战,开发了银催化的芳香族羧酸分子间Minisci反应。用廉价的银盐作为催化剂,这种新的反应可以实现各种芳族羧酸的经历脱羧耦合用缺电子的芳烃或杂芳烃不管取代基上的芳族羧酸的位置,因此消除了对需要邻-取代的芳族羧酸,这是以前报道的方法的局限性。
  • Functionalizations of Mixtures of Regioisomeric Aryllithium Compounds by Selective Trapping with Dichlorozirconocene
    作者:Alicia Castelló-Micó、Simon A. Herbert、Thierry León、Thomas Bein、Paul Knochel
    DOI:10.1002/anie.201508719
    日期:2016.1.4
    The reaction of mixtures of aryllithium regioisomers obtained either by directed lithiation or by Br/Li exchange with substoichiometric amounts of Cp2ZrCl2 proceeds with high regioselectivity. The least sterically hindered regioisomeric aryllithium is selectively transmetalated to the corresponding arylzirconium species leaving the more hindered aryllithium ready for various reactions with electrophiles
    通过定向锂化或通过 Br/Li 交换获得的芳基锂区域异构体的混合物与亚化学计量量的 Cp 2 ZrCl 2 的反应以高区域选择性进行。空间位阻最小的区域异构芳基锂被选择性地转移到相应的芳基锆物种,留下位阻更大的芳基锂准备好与亲电试剂进行各种反应。作为应用,这些从 Li 到 Zr 的区域选择性金属转移被用于制备 1,3-双(三氟甲基)苯的所有三种锂化区域异构体。
  • MATERIALS FOR ORGANIC ELECTRONIC DEVICES
    申请人:Merck Patent GmbH
    公开号:US20200055822A1
    公开(公告)日:2020-02-20
    The present application relates to triarylamine compounds of a defined formula. The present application further relates to processes for preparing the compounds, to the use of the compounds in electronic devices, and to electronic devices comprising the compounds.
    本申请涉及具有一定结构式的三芳胺化合物。本申请还涉及制备该化合物的过程,以及在电子设备中使用该化合物和包含该化合物的电子设备。
  • Stretched poly(arylene thioether-ketone) films and production process thereof
    申请人:KUREHA KAGAKU KOGYO KABUSHIKI KAISHA
    公开号:EP0293113A2
    公开(公告)日:1988-11-30
    Disclosed herein is a stretched poly(arylene thioether-ketone) film made of a thermoplastic material which comprises (A) 100 parts by weight of a melt-­stable poly(arylene thioether-ketone) having predomi­nant recurring units of the formula and having a melting point, Tm of 310-380°C, a residual melt crystallization enthalpy, ΔHmc (420°C/10 min) of at least 10 J/g and a melt crystallization temperature, Tmc (420°C/10 min) of at least 210°C, and a reduced viscosity of 0.3-2 dℓ/g as determined by viscosity measurement at 25°C and a polymer concentration of 0.5 g/dℓ in 98 percent by weight sulfuric acid; and optionally, (B) up to 100 parts by weight of at least one of thermoplastic resins and/or up to 15 parts by weight of at least one of fillers. Its production process is also disclosed.
    本发明公开了一种由热塑性材料制成的拉伸聚(芳基硫醚酮)薄膜,该热塑性材料包括 (A) 100 份(重量)熔融稳定的聚(芳基硫醚酮),该聚(芳基硫醚酮)的主要递归单元式为 熔点 Tm 为 310-380°C,残余熔融结晶焓 ΔHmc (420°C/10 min) 至少为 10 J/g,熔融结晶温度 Tmc (420°C/10 min) 至少为 210°C,还原粘度为 0.3-2 dℓ/g (通过在 25°C 下测量粘度确定),聚合物浓度为 0.5 g/dℓ (在 98% 重量的硫酸中);以及 (B) 最多 100 份(重量)的至少一种热塑性树脂和/或最多 15 份(重量)的至少一种填料。其生产工艺也已公开。
  • Molded or formed poly(arylene thioether-ketone) articles
    申请人:KUREHA KAGAKU KOGYO KABUSHIKI KAISHA
    公开号:EP0293118A2
    公开(公告)日:1988-11-30
    Disclosed herein is a molded or formed poly(arylene thioether-ketone) article made of a thermoplastic material which comprises 100 parts by weight of a melt-stable poly(arylene thioether-ketone) (PTK) and if desired, up to 100 parts by weight of at least one of thermoplastic resins and/or up to 300 parts by weight of at least one of fibrous fillers and/or at least one of inorganic fillers. The PTK has predominant recurring units of the formula wherein the -CO- and -S- are in the para position to each other, and has a melting point, Tm of 310-380°C, a residual melt crystallization enthalpy, ΔHmc (420°C/10 min) of at least 10 J/g, a melt crystallization temperature, Tmc (420°C/10 min) of at least 210°C, and a reduced viscosity of 0.2-2 dℓ/g as determined by viscosity measurement at 25°C and a polymer concentration of 0.5 g/dℓ in 98 percent by weight sulfuric acid. This invention provides extruded articles, injection-molded articles, unstretched films and the like, all of which have practical physical properties, by using a novel high-density and high-crystallinity PTK having melt stability sufficient to apply conventional melt processing techniques.
    本文公开了一种由热塑性材料制成的模塑或成型聚(芳基硫醚酮)制品,该热塑性材料包括 100 重量份的熔融稳定聚(芳基硫醚酮)(PTK),如果需要,还包括多达 100 重量份的至少一种热塑性树脂和/或多达 300 重量份的至少一种纤维填料和/或至少一种无机填料。PTK 的主要重复单元式为 其中 -CO- 和 -S- 互为对位,熔点 Tm 为 310-380°C,残余熔融结晶焓 ΔHmc (420°C/10 min) 至少为 10 J/g,熔融结晶温度 Tmc (420°C/10 min) 至少为 210°C,还原粘度为 0.2-2dℓ/g,该粘度是在 25°C、聚合物浓度为 0.5 g/dℓ 的 98% 重量百分比的硫酸中通过粘度测量确定的。本发明采用新型高密度、高结晶度 PTK,其熔体稳定性足以应用常规熔体加工技术,从而提供了具有实用物理性能的挤出制品、注塑制品、未拉伸薄膜等。
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
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cnmr
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  • 峰位数据
  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
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Assign
Shift(ppm)
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测试频率
样品用量
溶剂
溶剂用量
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同类化合物

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