uranium dioxide

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 锕系有机物
• 英文名称: uranium dioxide
• 英文别名: uranium oxide；uranium;dihydrate
• 化学式: O₂U
• 分子量: 270.028
• InChiKey: YIIYNAOHYJJBHT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.65
• 重原子数：
  3
• 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：
  2
• 氢给体数：
  2
• 氢受体数：
  2

ADMET

代谢

铀通过口服、吸入和皮肤途径被少量吸收。体内的铀通常以尿anyl离子（UO2）2+的形式存在，与阴离子如柠檬酸盐和碳酸氢盐或血浆蛋白结合。铀优先分布到骨骼、肝脏和肾脏。进入体内的铀大部分不被吸收，并通过尿液和粪便从体内排出。(L248)

Uranium is absorbed in low amounts via oral, inhalation, and dermal routes. Uranium in body fluids generally exists as the uranyl ion (UO2)2+ complexed with anions, such as citrate and bicarbonate, or plasma proteins. Uranium preferentially distributes to bone, liver, and kidney. The large majority of uranium that enters the body is not absorbed and is eliminated from the body via the urine and faeces. (L248)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 毒性总结

铀与血液中的碳酸氢盐或血浆蛋白结合，但一旦进入肾脏，它就会被释放并与肾小管壁上的磷酸盐配体和蛋白质形成复合物，造成损害。铀还可能抑制肾近端小管中的依赖钠传输和不依赖钠传输的ATP利用和线粒体氧化磷酸化。铀通过损害肺泡上皮II型细胞引起呼吸系统疾病。铀诱导c-Jun N端激酶（JNK）和p38丝裂原活化蛋白激酶（p38 MAPK）的激活，进而诱导肿瘤坏死因子alpha（TNF-alpha）的分泌，在肺部产生炎症反应。研究表明，铀盐越可溶，毒性越强。铀产生的电离辐射损害DNA，导致基因突变和染色体畸变。这可以启动和促进致癌作用，并干扰繁殖和发育。（L249, A160）

Uranium is combined with either bicarbonate or a plasma protein in the blood but once in the kidney, it is released and forms complexes with phosphate ligands and proteins in the tubular wall, causing damage. Uranium may also inhibit both sodium transport-dependent and independent ATP utilization and mitochondrial oxidative phosphorylation in the renal proximal tubule. Uranium causes respiratory diseases by damaging alveolar epithelium type II cells in the lungs. Uranium induces c-Jun N-terminal kinase (JNK) and p38 mitogen-activated protein kinase (p38 MAPK) activation, which in turn induces tumor necrosis factor alpha (TNF-alpha) secretion and generates and inflammatory response in the lungs. Studies have shown that the more soluble the uranium salt, the more toxic it is. Ionizing radiation produced by uranium damages the DNA, resulting in gene mutations and chromosomal aberrations. This can both both initiate and promote carcinogenesis, and interfere with reproduction and development. (L249, A160)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 致癌物分类

铀：第1组，对人类有致癌性（L135）

Uranium: Group 1, carcinogenic to humans (L135)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 健康影响

铀主要损害肾脏，但也可能损害肺部、中枢神经系统和免疫系统。铀的放射性被认为会损害DNA，导致致癌效应以及生殖和发育损害。

Uranium primarily damages the kidney, but may also damage the lungs, central nervous system, and immune system. Uranium's radioactivity is believed to damage the DNA, resulting in carcinogenic effects and reproductive and developmental damage. (L248, L249)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 暴露途径

口服（L249）；吸入（L249）；皮肤给药（L249）

Oral (L249) ; inhalation (L249) ; dermal (L249)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 症状

摄入铀可能会导致呕吐和腹泻。

Ingestion of uranium may cause vomiting and diarrhea. (L248)

来源:Toxin and Toxin Target Database (T3DB)

反应信息

• 作为反应物：
  描述：

  uranium dioxide 在 硝酸 作用下， 以 硝酸 为溶剂， 生成 uranyl
  参考文献：
  名称：

  Correction for quenching in fluorimetric determinations using steady state fluorescence

  摘要：

  Quenching corrections in fluorimetric estimations are arrived at using time resolved fluorometry, where the reduction in the lifetimes of the fluorophore in the presence of quenchers is a measure of the correction. A novel procedure for the correction of quenching in fluorimetric determinations using steady state fluorescence spectroscopy is described hen. The method is based on the variation in the slope of the fluorescence versus concentration plots, as the quencher concentration is changed. As a test case, the procedure for the determination of uranium has been demonstrated in the presence of a number of metal ion quenchers. (C) 2000 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s1386-1425(99)00233-4
• 作为产物：
  描述：

  monouranium(VI) monoacetate dihydride 生成 uranium dioxide
  参考文献：
  名称：

  Dubrovin, A. V.; Dunaeva, K. M.; Spitsyn, V. I., Russian Journal of Inorganic Chemistry, 1977, vol. 22, p. 1682 - 1685

  摘要：

  DOI：
• 作为试剂：
  描述：

  三聚乙醛 在 uranium dioxide 作用下， 生成 丁烯-2-醛
  参考文献：
  名称：

  Sabatier; Gaudion, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1918, vol. 166, p. 633

  摘要：

  DOI：

文献信息

• Structural diversity in organically templated uranium sulfatesElectronic supplementary information (ESI) available: three-dimensional packing diagrams for USO-6–USO-10. See http://www.rsc.org/suppdata/dt/b2/b209208e/
  作者：Alexander J. Norquist、Michael B. Doran、Paul M. Thomas、Dermot O'Hare

  DOI：10.1039/b209208e

  日期：2003.3.12

  zero-dimensional. Two different types of one-dimensional uranyl-containing chains have been observed. [N2C4H12][UO2(H2O)(SO4)2] (USO-3), [N2C5H14][UO2(H2O)(SO4)2] (USO-4) and [N2C3H12][UO2(H2O)(SO4)2] (USO-9) contain chains based upon a [UO2(SO4)4/2] backbone. [N2C10H10][UO2(SO4)2]·H2O (USO-6) and [N2C6H18][(UO2)2(H2O)3(SO4)3] (USO-7) contain chains based upon a [UO2(SO4)3/3] backbone. Two layered or two-dimensional

  已经研究了有机胺模板指导金属硫酸盐骨架合成的潜力。在水热条件下，使用模板化的铀酰硫酸盐前体制备了八种新的硫酸铀酰硫酸盐。分离相的拓扑结构从分子（0-D）到链（1-D）到分层（2-D）骨架不等。[N 4 C 6 H 22 ] 2 [（UO 2）2（SO 4）6 ]（USO-10）是分子或零维的。已经观察到两种不同类型的一维含铀酰的链。[N 2 C 4 H 12 ] [UO 2（H 2O）（SO 4）2 ]（USO-3），[N 2 C 5 H 14 ] [UO 2（H 2 O）（SO 4）2 ]（USO-4）和[N 2 C 3 H 12 ] [UO 2（H 2 O）（SO 4）2 ]（USO-9）包含基于[UO 2（SO 4）4/2 ]主链的链。[N 2 C 10 H 10 ] [UO 2（SO 4）2 ]·H 2O（USO-6）和[N 2 C 6 H 18 ] [（UO 2）2（H 2 O）3（SO
• Thermochemistry of uranium compounds XII. Standard enthalpies of formation of the α and β modifications of uranium pentafluoride The enthalpy of the β-to-α transition at 298.15 K
  作者：P.A.G. O'Hare、John G. Malm、P. Gary Eller

  DOI：10.1016/0021-9614(82)90050-7

  日期：1982.4

  Auxiliary measurements were made of the enthalpies of reaction of UO2, γ-UO3, and HF(aq). From these results are calculated the standard enthalpies of formation ΔHfo(298.15 K) of β-UF5, −(2083.0 ± 6.3) kJ·mol−1 and of α-UF5, −(2075.5 ± 6.7) kJ·mol−1. The enthalpy of the (β-to-α) transition is (7.5 ± 2.1) kJ·mol−1 at 298.15 K. Suggested ΔHfo values are also given for U4F17 and U2F9.

  描述了 UF5 的 α 和 β 变体与 Ce(SO4)2 + H2SO4 反应焓的溶液量热法测定。辅助测量了 UO2、γ-UO3 和 HF(aq) 的反应焓。从这些结果计算出β-UF5 的标准生成焓ΔHfo(298.15 K)，-(2083.0 ± 6.3) kJ·mol-1 和α-UF5，-(2075.5 ± 6.7) kJ·mol-1。(β-to-α) 跃迁的焓在 298.15 K 时为 (7.5 ± 2.1) kJ·mol-1。还给出了 U4F17 和 U2F9 的建议 ΔHfo 值。
• Preparation, Properties and Reactions of Bismuth Pentafluoride¹
  作者：Jack Fischer、Edgars Rudzitis

  DOI：10.1021/ja01533a009

  日期：1959.12

  Bismuth pentafluoride was prepared by synthesis from bismuth and fluorine at 500 deg C. Its crystal structure, density of the solid and liquid, triple point temperature, and vapor pressure were determined and the latent heat of vaporization and Trouton constant were calculated. Various chemical reactions of bismuth pentifluoride, such as its reduction with hydrogen and fluorination reactions with various

  五氟化铋是由铋和氟在500℃下合成制备的。测定其晶体结构、固液密度、三相点温度和蒸气压，并计算汽化潜热和特劳顿常数。研究了五氟化铋的各种化学反应，如氢还原和与各种元素和化合物的氟化反应。五氟化铋是一种强氟化剂。（授权）
• Synthesis, molecular modeling, thermal and spectral studies of metal complexes of hydrazone derived from 5-acetyl-4-hydroxy-2H-1,3-thiazine-2,6(3H)-dione and thiosemicarbazide
  作者：Omima M.I. Adly

  DOI：10.1016/j.saa.2011.04.058

  日期：2011.9

  spectral and magnetic studies as well as thermal gravimetric analysis (TGA). The deprotonated ligand acts as a dibasic tridentate (ONS) via phenolate oxygen, azomethine (CN), and thiolate (C-S) groups. Copper(II) complex exhibits square planar geometry. Nickel(II), chromium(III) and dioxouranium(VI) complexes exhibit octahedral geometry. Cobalt(II), cadmium(II) and zinc(II) complexes showed tetrahedral

  通式为[ML（H2O）（CH3OH）x]·nH2O·（CH3OH）y（NO3）z [M = Cu（II），Ni（II），Co（II），VO（IV）， Cr（III），Cd（II），Zn（II）或UO2（VI）; x = 0-2; y = 0,1; z = 0,1; n = 0-2、6和L =（（H2L），是由硫代氨基脲与5-乙酰基-4-羟基-2H-1,3-噻嗪-2,6（3H）-二酮缩合而得。合成的配体及其金属络合物已根据元素分析，光谱和磁性研究以及热重分析（TGA）进行了表征。去质子化的配体通过酚盐的氧，偶氮甲碱（CN）和硫醇盐（CS）基团充当二元三齿（ONS）。铜（II）配合物表现出方形平面几何形状。镍（II），铬（III）和二氧铀（VI）配合物具有八面体几何形状。钴（II），镉（II）和锌（II）配合物呈四面体几何形状，而氧钒（IV）则显示出方形的金字塔形几何形状。对热分析进行了研究，
• Spectroscopic studies, thermal analyses and biological evaluation of new V(IV), Zr(IV) and U(VI) moxifloxacin complexes
  作者：Sadeek A. Sadeek、Walaa H. El-Shwiniy、Wael A. Zordok、Essam Kotb

  DOI：10.1016/j.molstruc.2011.09.009

  日期：2011.12

  and [UO2(MOX)3](NO3)2·3H2O formed in the interaction of moxifloxacin (MOX) with VOSO4·H2O, ZrOCl2·8H2O and UO2(NO3)2·6H2O in methanol and acetone as a solvents at room temperature were reported. The isolated solid complexes have been characterized with melting points, elemental analysis, molar conductance, magnetic moments studies, spectral (UV–Visible, IR and 1HNMR) as well as thermal analyses (TGA

  摘要 新型固体配合物[VO(MOX)2H2O]SO4·11H2O、[ZrO(MOX)2Cl]Cl·15H2O和[UO2(MOX)3](NO3)2·3H2O的合成与表征报道了莫西沙星 (MOX) 以 VOSO4·H2O、ZrOCl2·8H2O 和 UO2(NO3)2·6H2O 为溶剂，在甲醇和丙酮中作为室温溶剂。分离出的固体配合物已通过熔点、元素分析、摩尔电导、磁矩研究、光谱（UV-Visible、IR 和 1HNMR）以及热分析（TGA 和 DTG）进行表征。结果支持复合物的形成，并表明莫西沙星作为双齿配体通过吡啶酮氧和一个羧基氧与金属离子螯合反应。热重 (TGA) 及其微分 (DTG) 的动力学参数，如活化能、E*、焓、ΔH*、熵、已使用 Coats-Redfern (CR) 和 Horowitz-Metzeger (HM) 方法评估了 ΔS* 和吉布斯自由能 ΔG*。通过在 B3LYP/CEP-31G