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barium chromate

中文名称
——
中文别名
——
英文名称
barium chromate
英文别名
barium(2+);dioxido(dioxo)chromium
barium chromate化学式
CAS
——
化学式
Ba*CrO4
mdl
——
分子量
253.324
InChiKey
QFFVPLLCYGOFPU-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

计算性质

  • 辛醇/水分配系数(LogP):
    -3.0
  • 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:
    80.3
  • 氢给体数:
    0
  • 氢受体数:
    4

ADMET

代谢
硫酸钡通过摄入和吸入被吸收,其程度取决于个别化合物。在人体内,大部分的硫酸钡存在于骨骼中,而少量存在于肌肉、脂肪、皮肤和结缔组织中。硫酸钡在体内不被代谢,但可能会被运输或结合到复合物或组织中。硫酸钡通过尿液和粪便排出。通过口腔、吸入或皮肤接触被吸收,并分布到几乎所有组织中,肾脏和肝脏中的浓度最高。骨骼也是一个主要的储存地点,可能对长期保留有贡献。六价硫酸盐和铬酸盐的相似性使其能够通过硫酸盐运输机制进入细胞。在细胞内,六价首先被还原为五价,然后通过许多物质,包括抗坏血酸谷胱甘肽烟酸腺嘌呤二核苷酸,被还原为三价几乎全部通过尿液排出。(A12, L16, L214)
Barium compounds are absorbed via ingestion and inhalation, the extent of which depends on the individual compound. In the body, the majority of the barium is found in the bone, while small amounts exists in the muscle, adipose, skin, and connective tissue. Barium is not metabolized in the body, but it may be transported or incorporated into complexes or tissues. Barium is excreted in the urine and faeces. Chromium is absorbed from oral, inhalation, or dermal exposure and distributes to nearly all tissues, with the highest concentrations found in kidney and liver. Bone is also a major storage site and may contribute to long-term retention. Hexavalent chromium's similarity to sulfate and chromate allow it to be transported into cells via sulfate transport mechanisms. Inside the cell, hexavalent chromium is reduced first to pentavalent chromium, then to trivalent chromium by many substances including ascorbate, glutathione, and nicotinamide adenine dinucleotide. Chromium is almost entirely excreted with the urine. (A12, L16, L214)
来源:Toxin and Toxin Target Database (T3DB)
毒理性
  • 毒性总结
鉴定和使用:铬酸钡是一种重质的、淡黄色的结晶粉末。它被用作颜料,几乎完全用于防腐蚀连接膏中,以防止不同属接头处的电化学腐蚀;也用于艺术家颜料以及给玻璃、陶瓷、瓷器着色。还用于属底漆和烟火配方中。人类暴露和毒性:铬酸钡对人类肺细胞具有细胞毒性和基因毒性。基因毒性可能不仅仅是由铬离子介导的,还可能涉及离子的某些裂变活性。铬酸钡铬酸锌的裂变效果相似。动物研究:在35只肌肉植入25毫克铬酸钡的大鼠及其对照组中,没有观察到植入部位肿瘤;34只肌肉植入并观察27个月的大鼠中也没有植入肿瘤;对照组也是阴性。31只植入胸腔铬酸钡的大鼠中,仅治疗组大鼠出现一例肿瘤,而34只对照组大鼠未出现肿瘤。铬酸钡在一种转基因、V79衍生的哺乳动物细胞系(G12)中产生了显著的突变平。
IDENTIFICATION AND USE: Barium chromate is a heavy, pale-yellow crystalline powder. It is used as pigment, almost entirely in anticorrosion jointing pastes, to prevent electro-chemical corrosion at junctions of dissimilar metals; some use in artists' colors and in coloring glass, ceramics, porcelain. Also used in metal primers, pyrotechnic compositions. HUMAN EXPOSURE AND TOXICITY: Barium chromate is cytotoxic and genotoxic to human lung cells. Genotoxicity may not be solely mediated by Cr ions, but also involve some clastogenic activity of barium ions. The clastogenic effects of barium chromate and zinc chromate were similar. ANIMAL STUDIES: No implantation site tumors were seen in 35 rats given intramuscular implantation of 25 mg barium chromate or in their controls; no implantation tumors were observed in 34 rats given intramuscular implants and observed for 27 months; controls were also negative. Thirty-one rats implanted with intrapleural barium chromate revealed only one tumor in treated rats and none in the 34 control rats. Barium chromate produced a significant level of mutations in a transgenic, V79-derived, mammalian cell line (G12).
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 毒性总结
是一种竞争性的通道拮抗剂,它阻断了细胞内钾离子的被动外流,导致钾离子从细胞外向细胞内室转移。细胞内钾离子的转移导致静息膜电位降低,使得肌肉纤维在电学上不可兴奋,从而引起瘫痪。的某些效果可能也是由于引起的神经肌肉阻滞和膜去极化。六价的致癌效果是由其代谢物,五价和三价引起的。DNA损伤可能是由五价在细胞中通过过氧化氢分子再氧化过程中产生的羟基自由基引起的。三价还可能与肽、蛋白质和DNA形成复合物,导致DNA-蛋白质交联、DNA链断裂、DNA-DNA链间交联、-DNA加合物、染色体重排和细胞信号通路改变。它已被证明通过过度刺激细胞调节途径和通过激活某些丝裂原活化蛋白激酶增加过氧化氢平来诱导致癌作用。它还可能通过将组蛋白去乙酰化酶1-DNA甲基转移酶1复合物与CYP1A1启动子染色质交联,抑制组蛋白修饰,引起转录抑制。可能通过修饰属调节转录因子1,导致抑制诱导的蛋白转录,从而增加其自身的毒性。(A12, L16, A34, A35, A36, L214)
Barium is a competitive potassium channel antagonist that blocks the passive efflux of intracellular potassium, resulting in a shift of potassium from extracellular to intracellular compartments. The intracellular translocation of potassium results in a decreased resting membrane potential, making the muscle fibers electrically unexcitable and causing paralysis. Some of these barium's effects may also be due to barium induced neuromuscular blockade and membrane depolarization. Hexavalent chromium's carcinogenic effects are caused by its metabolites, pentavalent and trivalent chromium. The DNA damage may be caused by hydroxyl radicals produced during reoxidation of pentavalent chromium by hydrogen peroxide molecules present in the cell. Trivalent chromium may also form complexes with peptides, proteins, and DNA, resulting in DNA-protein crosslinks, DNA strand breaks, DNA-DNA interstrand crosslinks, chromium-DNA adducts, chromosomal aberrations and alterations in cellular signaling pathways. It has been shown to induce carcinogenesis by overstimulating cellular regulatory pathways and increasing peroxide levels by activating certain mitogen-activated protein kinases. It can also cause transcriptional repression by cross-linking histone deacetylase 1-DNA methyltransferase 1 complexes to CYP1A1 promoter chromatin, inhibiting histone modification. Chromium may increase its own toxicity by modifying metal regulatory transcription factor 1, causing the inhibition of zinc-induced metallothionein transcription. (A12, L16, A34, A35, A36, L214)
来源:Toxin and Toxin Target Database (T3DB)
毒理性
  • 致癌性证据
证据权重特征:根据当前指南(1986年),六价被归类为A组——已知的人类通过吸入途径的致癌物。通过口服途径的致癌性无法确定,被归类为D组。在拟议的指南(1996年)下,六价将被定性为通过吸入途径的已知人类致癌物,基于以下原因。已知六价通过吸入途径在人类中具有致癌性。对接触的工人进行的职业流行病学研究结果在调查者和研究人群之间是一致的。已经建立了暴露与肺癌的剂量-反应关系。接触的工人既暴露于三价也暴露于六价化合物。然而,只有六价在动物研究中被发现的具有致癌性,因此得出结论,只有六价应该被归类为人类致癌物。动物数据与六价的人类致癌性数据一致。六价化合物在动物生物分析中具有致癌性,产生以下肿瘤类型:在大鼠和小鼠的肌肉注射部位、在大鼠的各种六价化合物的胸膜内植入部位、在大鼠的各种六价化合物的支气管内植入部位以及在大鼠的皮下注射部位肉瘤。体外数据提示了六价致癌性的潜在作用模式。六价的致癌性可能是由于六价在细胞内还原为三价形式后形成致突变的氧化DNA损伤。六价容易通过细胞膜并迅速在细胞内还原,生成反应性的三价和四价中间体和活性氧种。在六价还原过程中形成许多潜在的致突变DNA损伤。六价在细菌分析、酵母和V79细胞中具有致突变性,六价化合物减少了体外DNA合成的准确性,并因DNA损伤产生非计划性DNA合成。铬酸已被证明能转化原代细胞和细胞系。 人类致癌性数据:职业接触化合物已在铬酸盐生产、镀颜料生产、矿开采、皮革鞣制和生产行业中进行研究。铬酸盐行业的工人接触三价和六价化合物。对日本、英国、西德和美国的铬酸盐生产厂进行的流行病学研究揭示了职业接触与肺癌之间的相关性,但没有确定导致癌症的具体形态……对颜料工人的研究一致表明,职业接触(主要是六价)与肺癌有关。对镀行业进行的几项研究已经证明了癌症与接触化合物之间的正相关关系。 动物致癌性数据:动物数据与六价的人类流行病学研究结果一致……/六价/
WEIGHT OF EVIDENCE CHARACTERIZATION: Under the current guidelines (1986), Cr(VI) is classified as Group A - known human carcinogen by the inhalation route of exposure. Carcinogenicity by the oral route of exposure cannot be determined and is classified as Group D. Under the proposed guidelines (1996), Cr(VI) would be characterized as a known human carcinogen by the inhalation route of exposure on the following basis. Hexavalent chromium is known to be carcinogenic in humans by the inhalation route of exposure. Results of occupational epidemiological studies of chromium-exposed workers are consistent across investigators and study populations. Dose-response relationships have been established for chromium exposure and lung cancer. Chromium-exposed workers are exposed to both Cr(III) and Cr(VI) compounds. Because only Cr(VI) has been found to be carcinogenic in animal studies, however, it was concluded that only Cr(VI) should be classified as a human carcinogen. Animal data are consistent with the human carcinogenicity data on hexavalent chromium. Hexavalent chromium compounds are carcinogenic in animal bioassays, producing the following tumor types: intramuscular injection site tumors in rats and mice, intrapleural implant site tumors for various Cr(VI) compounds in rats, intrabronchial implantation site tumors for various Cr(VI) compounds in rats and subcutaneous injection site sarcomas in rats. In vitro data are suggestive of a potential mode of action for hexavalent chromium carcinogenesis. Hexavalent chromium carcinogenesis may result from the formation of mutagenic oxidatitive DNA lesions following intracellular reduction to the trivalent form. Cr(VI) readily passes through cell membranes and is rapidly reduced intracellularly to generate reactive Cr(V) and Cr(IV) intermediates and reactive oxygen species. A number of potentially mutagenic DNA lesions are formed during the reduction of Cr(VI). Hexavalent chromium is mutagenic in bacterial assays, yeasts and V79 cells, and Cr(VI) compounds decrease the fidelity of DNA synthesis in vitro and produce unscheduled DNA synthesis as a consequence of DNA damage. Chromate has been shown to transform both primary cells and cell lines. HUMAN CARCINOGENICITY DATA: Occupational exposure to chromium compounds has been studied in the chromate production, chromeplating and chrome pigment, ferrochromium production, gold mining, leather tanning and chrome alloy production industries. Workers in the chromate industry are exposed to both trivalent and hexavalent compounds of chromium. Epidemiological studies of chromate production plants in Japan, Great Britain, West Germany, and the United States have revealed a correlation between occupational exposure to chromium and lung cancer, but the specific form of chromium responsible for the induction of cancer was not identified ... Studies of chrome pigment workers have consistently demonstrated an association between occupational chromium exposure (primarily Cr(VI)) and lung cancer. Several studies of the chromeplating industry have demonstrated a positive relationship between cancer and exposure to chromium compounds. ANIMAL CARCINOGENICITY DATA: Animal data are consistent with the findings of human epidemiological studies of hexavalent chromium ... /Chromium (VI)/
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 致癌性证据
评估:有足够的人类证据表明六价化合物具有致癌性。六价化合物可导致肺癌。此外,还观察到暴露于四价化合物与鼻咽癌之间存在正相关关系。有足够的实验动物证据表明六价化合物具有致癌性。六价化合物对人类具有致癌性(第1组)。/六价化合物/
Evaluation: There is sufficient evidence in humans for the carcinogenicity of chromium(VI) compounds. Chromium(VI) compounds cause cancer of the lung. Also positive associations have been observed between exposure to Chromium(IV) compounds and cancer of the nose and nasal sinuses. There is sufficient evidence in experimental animals for the carcinogenicity of chromium(VI) compounds. Chromium(VI) compounds are carcinogenic to humans (Group 1). /Chromium(VI) compounds/
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 致癌性证据
hexavalent 化合物:已知对人类有致癌作用。/ hexavalent 化合物/
Chromium Hexavalent Compounds: known to be human carcinogens. /Chromium hexavalent compound/
来源:Hazardous Substances Data Bank (HSDB)
吸收、分配和排泄
在气管内给药硫酸钡后48小时内,小鼠体内的消除量仅为剂量的12%。在六价化合物中,硫酸钡的吸收率较低,接近三价化合物的吸收率。生物学半衰期为18天。分布在体内的含量适中。在粪便中的排泄量大于尿液中的排泄量...。
Elimination of chromium from mice within 48 hr after intratracheal admin of barium chromate was only 12% of the dose. Among hexavalent chromium cmpd, barium chromate showed a low absorption rate near that of trivalent chromium cmpd. The biological half-time was 18 days. The amt of chromium distributed in the body was moderate. Chromium excretion was greater in feces than in urine ... .
来源:Hazardous Substances Data Bank (HSDB)

反应信息

  • 作为反应物:
    描述:
    barium chromate硫化氢 作用下, 以 为溶剂, 生成 硫酸酯
    参考文献:
    名称:
    Hamid, M. A.; Bhatia, V. S.; Dunnicliff, H. B., Journal of the Indian Chemical Society, 1936, vol. 13, p. 697 - 699
    摘要:
    DOI:
  • 作为产物:
    描述:
    sodium chromate(VI) 在 sodium hydroxide 、 barium(II) chloride 作用下, 生成 barium chromate
    参考文献:
    名称:
    Kunze, E., Farben-Chemiker, 1938, vol. 9, p. 221 - 230
    摘要:
    DOI:
  • 作为试剂:
    描述:
    alkaline earth salt of/the/ methylsulfuric acid 在 barium chromate 、 CuCr2O4copper(II) oxide 作用下, 250.0~255.0 ℃ 、10.79 MPa 条件下, 生成 2-丙基苯甲酸
    参考文献:
    名称:
    Elsner et al., Journal of the Chemical Society, 1957, p. 578,580
    摘要:
    DOI:
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文献信息

  • Controlled synthesis of barium chromate multi-layered microdiscs and their photocatalytic activity
    作者:Mattawan Japa、Patchareeporn Panoy、Supanan Anuchai、Sukon Phanichphant、Piyarat Nimmanpipug、Sulawan Kaowphong、Doldet Tantraviwat、Burapat Inceesungvorn
    DOI:10.1039/c5ra23482d
    日期:——

    BaCrO4 microdiscs composed of multi-layered microplates were successfully synthesized by a facile oxalate-assisted precipitation method. Based on time-dependent experiments, a dissolution–recrystallization–self-assembly process has been proposed.

    BaCrO4 微盘由多层微板组成,通过简便的草酸辅助沉淀法成功合成。基于时间依赖性实验,提出了一种溶解-再结晶-自组装过程。
  • Unusual aquation of Ba<sup>2+</sup>ions in the solid state: synthesis and X-ray structural and spectroscopic characterization of the novel polymeric complex salt of empirical formula {Ba<sub>6</sub>(H<sub>2</sub>O)<sub>17</sub>[Cr(ox)<sub>3</sub>]<sub>4</sub>}·7H<sub>2</sub>O (ox = oxalate dianion)
    作者:Michel M. Bélombé、Justin Nenwa、Yves-A. Mbiangué、Germain Evina Nnanga、Israël-M. Mbomekallé、Evamarie Hey-Hawkins、Peter Lönnecke、Félicité Majoumo
    DOI:10.1039/b302489j
    日期:——
    Reaction of BaII and CrIII,VI compounds with oxalates in water affords a salt of empirical formula Ba6(H2O)17[Cr(ox)3]4}·7H2O (1), consistent with the expected 3BaII/2CrIII ratio; the triclinic structure is held together by unusual water and oxalate bridges, and compound 1 proved to be suitable for the synthesis of new salts with chiral cations and anions.
    Ba II和Cr III,VI化合物与草酸盐的反应得到经验式为Ba 6(H 2 O)17 [Cr(ox)3 ] 4 }·7H 2 O(1)的盐,与预期的3Ba II / 2Cr III比值一致;三斜结构被不寻常的结合在一起草酸盐桥以及化合物1被证明适用于合成具有手性的新盐阳离子 和阴离子。
  • A New Approach to Synthesis of Layered Fluorites Containing Molecular Anions: Synthesis of Ln<sub>2</sub>O<sub>2</sub>CO<sub>3</sub>, K(LnO)CO<sub>3</sub>, and Ln<sub>2</sub>O<sub>2</sub>CrO<sub>4</sub> via Metathesis Reactions
    作者:Dmitri O. Charkin、Roman O. Grischenko、Arman A. Sadybekov、Richard J. Goff、Philip Lightfoot
    DOI:10.1021/ic701558m
    日期:2008.4.1
    layered, structure type. In addition, significantly easier and more efficient synthetic pathways were found to the known compounds [Ln2O2]K2(CO3)2 and [La2O2]CrO4. The structure of the latter compound has been determined from neutron powder diffraction data. Factors affecting reaction pathways and products are discussed, as well as prospects for applying the approach to more complex layered compounds
    建议一种新的合成方法来制备包含[Ln2O2]切片和分子阴离子片( 2-,SO42-和 2-)的层状稀土氧化物化合物。它基于稀土氧化物,[Ln2O2] Cl2与碱碳酸盐,硫酸盐或铬酸盐的交换反应。已经制备了五种新的稀土氧铬酸盐[Ln2O2] CrO4(Ln = Pr-Gd),它们采用了一种新的,可能是分层的结构类型。此外,还发现了已知化合物[Ln2O2] K2(CO3)2和[La2O2] 的合成途径明显更容易且更有效。后一种化合物的结构已由中子粉末衍射数据确定。讨论了影响反应途径和产物的因素,以及将该方法应用于更复杂的层状化合物的前景。
  • Application of the Taguchi Method for Optimization Experimental Condition of Synthesized Barium Chromate Nanoparticles by a Precipitation Method
    作者:Iraj Kohsari、Seiedeh Somayyeh Hajimirsadeghi
    DOI:10.1080/15533174.2011.568428
    日期:2011.5.1
    operational parameters for the synthesis of barium chromate nanoparticles. The effect of precipitation reaction conditions on the particle size of barium chromate was quantitavely evaluated by the analysis of variance (ANOVA). The optimum conditions for synthesis of barium chromate nanoparticles were proposed. The results of ANOVA showed that 0.1 mol/L chromate ion concentration, 2.5 mL/min flow rate,
    这项研究检查了用于合成铬酸钡纳米粒子的操作参数。通过方差分析(ANOVA)定量评估了沉淀反应条件对铬酸钡粒度的影响。提出了合成铬酸钡纳米粒子的最佳条件。方差分析的结果表明,0.1 mol / L的铬酸根离子浓度,2.5 mL / min的流速和0°C的温度是生产铬酸钡纳米颗粒的最佳条件。此外,以生物活性蛋壳膜为指导和组装模板,合成了BaCrO 4纳米超结构。通过这种方法合成的BaCrO 4纳米棒的平均直径为125 nm。
  • Preparation of Inorganic Compounds at Near Room Temperature by the Direct Conversion of Borate Glass in Solutions of the Corresponding Anions
    作者:Wenhai Huang、Mohamed N. Rahaman、Delbert E. Day、Xin Liu
    DOI:10.1111/j.1551-2916.2008.02425.x
    日期:2008.7
    The preparation of alkaline‐earth chromate, selenite, and stannate compounds at near room temperature by the direct conversion of borate glass in aqueous solutions of the corresponding anions was investigated. Borate glass particles (150–300 μm) with the composition 20Na2O·20CaO·60B2O3 or 20Na2O·20BaO·60B2O3 (mol%) were prepared by conventional methods and immersed in dilute solutions of K2CrO4, K2SeO3, or K2SnO3 at 37°C. The conversion of the glasses was monitored using weight loss and pH measurements, while X‐ray diffraction (XRD), X‐ray fluorescence, and scanning electron microscopy were used to characterize the structure and composition of the products. After a reaction for 140–320 h, porous crystalline products identified by XRD as CaSeO3.H2O, CaSnO3.3H2O, BaCrO4, and BaSeO3 were obtained. The conversion of fibers (0.5–1.0 mm in diameter) of the Na2O–BaO–B2O3 glass in K2CrO4 solution was pseudomorphic. The kinetics and mechanisms of the conversion process, as well as the structure of the products, are discussed.
    通过将硼酸玻璃直接转化为对应的阴离子在溶液中的化合物,研究了在近室温条件下制备碱土铬酸盐、亚硒酸盐酸盐化合物的方法。采用常规方法制备了组成分别为20Na₂O·20CaO·60B₂O₃或20Na₂O·20BaO·60B₂O₃(mol%)的硼酸玻璃颗粒(粒径150–300 μm),并将其浸入37°C的稀K₂CrO₄、K₂SeO₃或K₂SnO₃溶液中。通过重量损失和pH测量监测玻璃的转化过程,同时使用X射线衍射(XRD)、X射线荧光和扫描电子显微镜来表征产物的结构和组成。经过140–320小时的反应,获得了XRD鉴定为CaSeO₃·H₂O、CaSnO₃·3H₂O、BaCrO₄和BaSeO₃的多孔晶体产物。Na₂O–BaO–B₂O₃玻璃纤维(直径0.5–1.0 mm)在K₂CrO₄溶液中的转化呈现出拟态转变。讨论了转化过程的 kinetics、机理以及产物的结构。
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