beryllium sulfate

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 碱土金属氧阴离子化合物
• 英文名称: beryllium sulfate
• 英文别名: beryllium;sulfate
• 化学式: Be*O₄S
• 分子量: 105.076
• InChiKey: KQHXBDOEECKORE-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -1.72
• 重原子数：
  6
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  88.6
• 氢给体数：
  0
• 氢受体数：
  4

ADMET

代谢

铍主要通过肺部被吸收，在那里它进入血液并绑定到前白蛋白和α-球蛋白，从而在体内传输。铍在肺部组织和骨骼中积累，主要通过尿液排出体外。

Beryllium is absorbed mainly through the lungs, where it enters the bloodstream and is transported throughout the body by binding to prealbumins and _-globulins. Beryllium accumulates in lung tissue and the skeleton. It is excreted mainly in the urine. (L25)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 毒性总结

一旦进入人体，铍作为半抗原与肺部的人类白细胞抗原（HLA）DP呈递细胞相互作用，并与主要组织相容性（MHC）II类分子物理关联。这种MHC II类-铍-肽复合物被T淋巴细胞受体识别，触发CD4+ T淋巴细胞的激活和增殖。由此产生的炎症反应是一种由细胞因子协调的细胞介导过程，导致（通常是肺部的）肉芽肿形成。铍的毒性可能受到铁储存蛋白铁蛋白的控制，后者通过结合铍并阻止其与其他酶相互作用来隔离铍。(L25, A37, A91)

Once in the body, beryllium acts as a hapten and interacts with human leucocyte antigen (HLA) DP presenting cells in the lungs, becoming physically associated with a major histocompatability (MHC) class II molecule. This MHC class II-beryllium-peptide complex is recognized by the T lymphocyte receptor, triggering CD4+ T lymphocyte activation and proliferation. The resulting inflammatory response is a cell-mediated process orchestrated by cytokines and results in the formation of (usually pulmonary) granulomas. Beryllium's toxicity may be controlled by the iron-storage protein ferritin, which sequesters beryllium by binding it and preventing it from interacting with other enzymes. (L25, A37, A91)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 致癌性证据

有充分证据表明铍和铍化合物对人类具有致癌性。铍和铍化合物会导致肺癌。在实验动物中有充分证据表明铍和铍化合物的致癌性。铍和铍化合物对人类具有致癌性（第1组）。/铍和铍化合物/

There is sufficient evidence in humans for the carcinogenicity of beryllium and beryllium compounds. Beryllium and beryllium compounds cause cancer of the lung. There is sufficient evidence in experimental animals for the carcinogenicity of beryllium and beryllium compounds. Beryllium and beryllium compounds are carcinogenic to humans (Group 1). /Beryllium and beryllium compounds/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 致癌性证据

A1; 已确认的人类致癌物。/铍及其化合物，如Be/

A1; Confirmed human carcinogen. /Beryllium and compounds, as Be/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 致癌性证据

铍及铍化合物根据人类研究的充分致癌性证据，被认为是对人类有致癌作用的物质。

Beryllium and beryllium compounds are known to be human carcinogens based on sufficient evidence of carcinogenicity from studies in humans. /Beryllium and compounds/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 致癌物分类

1, 对人类致癌。

1, carcinogenic to humans. (L135)

来源:Toxin and Toxin Target Database (T3DB)

吸收、分配和排泄

实验大鼠持续暴露在含有34微克/立方米铍的气氛中，以硫酸铍气溶胶形式存在。肺部积累铍的速度随着暴露时间的增长而下降。铍通过溶解在肺液中的方式进入血液，或者通过淋巴管离开肺部。后者在雄性中的效率高于雌性。

Rats were exposed continuously to an atmosphere of 34 ug of Be per cu m in the form of an aerosol of beryllium sulfate. A rate of accumulation of be in lungs that decr with length of exposure. Beryllium left lungs via blood stream following soln in lung fluid or via lymph vessels. The latter route was more efficient in males than in females.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

铍的最终积累部位是骨骼...通过饮用硫酸铍的水被大鼠吸收...大部分铍...在肠道内腔中以磷酸盐形式沉淀并且...随粪便排出。起初尿液中铍的浓度较低...降至微量的痕迹。积累在骨骼中...在肝脏中较少。

Ultimate site of accumulation of beryllium is skeleton ... absorption by rats of beryllium sulfate admin in drinking water ... majority of beryllium ... precipitated within gut lumen as phosphate and ... lost in feces. At first low concn of beryllium ... in urine ... decr to mere trace. Accumulated in bones ... /less/ in liver.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

在吸入暴露停止后，肺部对硫酸铍的清除显示出一个初始（快速）阶段，在两周内清除了40%的初始肺负荷，随后是一个估计半衰期至少为36周的第二个（缓慢）阶段。

After cessation of /inhalation/ exposure, pulmonary clearance of beryllium /sulfate/ showed an initial (fast) phase removing 40% of the initial lung burden within 2 weeks followed by a second (slow) phase with an estimated half-time of at least 36 weeks.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

在大鼠暴露于34微克/立方米的硫酸铍气溶胶72周后，在大鼠肺中观察到铍的长期滞留。在大约36周时，在肺和气管支气管淋巴结中达到了平衡浓度。停止暴露后，肺中的铍最初以大约2周的半衰期被消除，随后以对数减少的清除速率。

... A long retention of beryllium /was observed/ in rat lungs after exposure to BeSO(4) aerosol at 34 ug Be/cu m for 72 weeks. An equilibrium concentration was reached in the lungs and tracheobronchial lymph nodes at about 36 weeks. After cessation of exposure, pulmonary beryllium was at first eliminated with a half-time of about 2 weeks, follwed by a logarithmically decreasing clearance rate.

来源:Hazardous Substances Data Bank (HSDB)

反应信息

• 作为反应物：
  描述：

  beryllium sulfate 生成 三氧化硫
  参考文献：
  名称：

  Chupr, V., Zeitschrift fur Analytische Chemie, 1929, vol. 76, p. 188

  摘要：

  DOI：
• 作为产物：
  描述：

  beryllium sulfate tetrahydrate 以 neat (no solvent) 为溶剂， 生成 beryllium sulfate
  参考文献：
  名称：

  硒酸铍四水合物，BeSeO4·4H2O：晶体结构和红外光谱

  摘要：

  摘要 讨论了单晶X射线衍射和红外光谱测定的标题化合物BeSeO 4 ·4H 2 O的晶体和分子结构。BeSeO 4 ·4H 2 O 在正交空间群 Cmca 中结晶（在 295 K 时：a =11.920(1), b =11.449(1), c =10.764(1) A, V =1468.8 A 3 , Z =2, wR 2=0.057（对于 2035 次反射和 68 个变量，R 1=0.022）。晶体结构由孤立的 Be(H 2 O) 4 和 SeO 4 四面体组成，它们通过强氢键相互连接，O w ⋯O 长度在 2.619 和 2.661 A 之间。与预期相反，电池体积和平均 Be-O和 Se-O 距离随着温度的降低而增加。该结构与无心四方BeSO 4 ·4H 2 O 的结构密切相关，但不同之处在于明显的多面体旋转和氢键结构的部分重排。BeSeO 4 ·4H 2 O 在非耦合 OD 模式（基质分离的

  DOI：

  10.1016/j.molstruc.2004.06.033
• 作为试剂：
  描述：

  甲醇 在 beryllium sulfate 作用下， 生成 甲醚
  参考文献：
  名称：

  Pajeau, Bulletin de la Societe Chimique de France, 1942, vol. <5>9, p. 744

  摘要：

  DOI：

文献信息

• Encapsulation of the Be^II Cation: Spectroscopic and Computational Study
  作者：Karl J. Shaffer、Ross J. Davidson、Anthony K. Burrell、T. Mark McCleskey、Paul G. Plieger

  DOI：10.1021/ic302770t

  日期：2013.4.1

  values in polar protic solvents, less so for the values recorded in polar aprotic solvents. A number of alternative complex structures were modeled, resulting in an improvement in experimental versus computational 9Be NMR chemical shifts, suggesting that in some cases full encapsulation on the beryllium atom was not occurring. Several of the synthesized complexes gave rise to unexpected fluorescence

  已经对一系列具有叔取代胺的配体的四配位铍（II）配合物的结构进行了计算建模，并使用6-311 ++的轨距包括原子轨道（GIAO）方法确定了其9 Be磁屏蔽值g（2d，p）级别。与极性质子溶剂中的实验值相比，在计算出的9 Be NMR化学位移之间观察到良好的相关性，极性质子溶剂中记录的值则较小。对许多替代复杂结构进行了建模，从而使实验与计算相比有了改进9NMR化学位移表明，在某些情况下，铍原子没有完全包封。几个合成的复合物产生了意想不到的荧光，并检查与所述电子跃迁相关联的所述计算出的分子轨道图表表明，在某些构象锁定赋予刚性来II协调跨越相邻的对齐的芳环允许离域桥接通过成为II。
• [EN] COMPOUNDS HAVING ELECTRON TRANSPORT PROPERTIES, THEIR PREPARATION AND USE<br/>[FR] COMPOSÉS PRÉSENTANT DES PROPRIÉTÉS DE TRANSPORT D'ÉLECTRONS, LEUR PRÉPARATION ET LEUR UTILISATION
  申请人：MERCK PATENT GMBH

  公开号：WO2010020352A1

  公开（公告）日：2010-02-25

  The invention provides compounds having utility inter alia as electron transport materials in optical light emitting diodes (OLEDs) and of the formula (I), (Il) or (III). Embodiments of the compounds when incorporated as electron transport layers in OLEDs exhibit a greater current density for a given voltage than corresponding devices where the electron transport material is aluminium quinolate.

  该发明提供了作为光电发光二极管（OLEDs）中电子传输材料的化合物，具有公式（I）、（II）或（III）的用途。当这些化合物作为OLED中的电子传输层时，与电子传输材料为铝喹啉的相应器件相比，表现出给定电压下更大的电流密度。
• Organic light-emitting element and display apparatus
  申请人：SAMSUNG ELECTRONICS CO., LTD.

  公开号：US10615350B2

  公开（公告）日：2020-04-07

  Provided is an organic light-emitting element having high luminous efficiency and a long lifetime. The organic light-emitting element includes a pair of electrodes and an organic compound layer placed between the pair of electrodes, in which the organic compound layer includes an iridium complex having a benzo[f]isoquinoline of a specific structure as a ligand and a metal complex compound of a specific structure.

  提供的是具有高发光效率和长寿命的有机发光元件。该有机发光元件包括一对电极和放置在一对电极之间的有机化合物层，其中有机化合物层包括一种铱配合物，其具有苯并[f]异喹啉作为配体的特定结构，以及一种特定结构的金属配合物化合物。
• Novel Binding of Beryllium to Dicarboxyimidazole-Based Model Compounds and Polymers
  作者：Paul G. Plieger、Deborah S. Ehler、Brandy L. Duran、Tammy P. Taylor、Kevin D. John、Timothy S. Keizer、T. Mark McCleskey、Anthony K. Burrell、Jeffrey W. Kampf、Thomas Haase、Paul G. Rasmussen、Jennifer Karr

  DOI：10.1021/ic050680c

  日期：2005.8.1

  zwitterionic species that has been structurally characterized. A new dicarboxyimidazole-based polymer has been prepared and its Be-binding properties have been studied using NMR ((1)H and (9)Be) and fluorescence spectroscopy; it represents a rare example of beryllium binding to a polymer. Models of the mononuclear and polymeric Be(II)-binding sites have been studied using density functional theory (DFT), and the

  配体4,5-二羧基咪唑（H（2）DCI）及其甲基衍生物1-甲基-4,5-二羧基咪唑（H（2）MDCI）已显示与Be（II）结合形成两性离子物质具有结构特征。制备了一种新的基于二羧基咪唑的聚合物，并使用NMR（（1）H和（9）Be）和荧光光谱研究了其Be结合性能。它代表了铍与聚合物结合的罕见例子。已经使用密度泛函理论（DFT）研究了单核和聚合物Be（II）结合位点的模型，并计算了这些模型材料的（9）Be NMR化学位移，目的是与实验观察值进行直接比较。 。讨论了单核和聚合物物种的结合方式的差异。
• Synthesis, characterization and stereochemistry of bis(isobutyrylketonate) complexes of II group metals
  作者：G. Ronsisvalle、F.A. Bottino、E. Libertini、O. Puglisi、A. Recca

  DOI：10.1016/0022-1902(80)80032-7

  日期：1980.1

  Bis-(Isobutyrylketonate) complexes of II group metals have been prepared and their variable 1H-NMR spectra have been investigated. Chemical shifts values and other arguments led us to favor a pseudo-tetrahedral D2d idealized structure for all the complexes investigated but the free energy of activation for the enantiomerization (inversion at the metal tetrahedral atom) could not be determined due to

  制备了II族金属的双-（异丁酰基酮酸酯）配合物，并研究了其可变的1 H-NMR谱。化学位移值和其他论点使我们对所有研究的络合物都偏爱拟四面体D 2 d理想化结构，但由于偶然的等时性，无法确定对映异构化活化的自由能（在金属四面体原子上的转化）在所有温度范围内对异丙基甲基进行分析。