barium carbonate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 英文名称: barium carbonate
• 英文别名: BaCO3；barium(2+);carbonate
• 化学式: Ba*CO₃
• 分子量: 197.339
• InChiKey: AYJRCSIUFZENHW-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -2.83
• 重原子数：
  5
• 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：
  63.2
• 氢给体数：
  0
• 氢受体数：
  3

ADMET

代谢

氯化钡、碳酸钡、硫酸钡以及在陶土中熔融的钡在大鼠体内的溶解性进行了研究。氯化钡和碳酸钡在注射部位迅速消失。硫酸钡溶解得更慢；计算出半衰期为26天。熔融的陶土大部分被保留，计算出的半衰期为1390天。

The in vivo solubility in rats of barium chloride, barium carbonate, barium sulfate, and barium fused in clay /was studied/. The chloride and the carbonate disappeared rapidly from the injection site. The sulfate dissolved more slowly; a half-life of 26 days was calculated. The fused clay was largely retained, the half-life being calculated as 1390 days.

来源:Hazardous Substances Data Bank (HSDB)

代谢

硫酸钡化合物通过摄入和吸入被吸收，其程度取决于具体化合物。在人体内，大部分的钡存在于骨骼中，而少量存在于肌肉、脂肪、皮肤和结缔组织中。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。钡通过尿液和粪便排出。

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. (L214)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 毒性总结

鉴定：自然界中，钡以化合态存在，主要形式为重晶石（硫酸钡）和碳酸钡。碳酸钡的水溶性非常低。钡及其化合物用于多种工业产品，从陶瓷到润滑剂。它用于制造合金，作为纸张、肥皂、橡胶和油毡的填充剂，在制造阀门时用作密封剂，以及作为扑灭镭、铀和钚火灾的灭火剂。钡的人为来源主要是工业。排放可能来自开采、精炼或处理钡矿物和制造钡产品。开采和加工重晶石矿石会释放颗粒物到空气中，以及在使用重晶石进行石油钻探和相关行业时产生的逃逸尘埃。人类暴露：由于多种因素影响吸收，因此很难评估摄入钡的摄取量。动物/植物研究：不溶性钡化合物，如碳酸钡，在肺中积聚并缓慢通过纤毛运动清除。在大鼠口服或吸入碳酸钡后，出现了不良反应，包括生殖影响。此外，钡处理雌鼠的新生儿死亡率更高。

IDENTIFICATION: In nature barium occurs in a combined state, the principal forms being barite (barium sulfate) and witherite (barium carbonate). Barium carbonate has a very low water solubility. Barium and its compounds are used in diverse industrial products ranging from ceramics to lubricants. It is used in the manufacture of alloys, as a loader for paper, soap, rubber and linoleum, in the manufacture of valves and as an extinguisher for radium, uranium and plutonium fires. Anthropogenic sources of barium are primarily industrial. Emissions may result from mining, refining or processing barium minerals and the manufacture of barium products. Mining and processing of barite ore releases particulates into the air and from fugitive dists from the use of barite in oil drilling and oil related industries. HUMAN EXPOSURE: It is difficult to assess the uptake of ingested barium because of a number of factors affect absorption. ANIMAL/PLANT STUDIES: Insoluble barium compounds such as barium carbonate, accumulate in the lungs and are cleared slowly ciliary action. Oral or inhalation administration of barium carbonate in rats resulted in adverse reproductive effects. In addition, the death rate was higher in the new born offspring of barium treated dams.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 毒性总结

钡是一种竞争性的钾通道拮抗剂，它可以阻止细胞内钾离子的被动外流，导致钾离子从细胞外向细胞内转移。细胞内钾离子的转移导致静息膜电位的降低，使得肌肉纤维在电学上不可兴奋，从而引起瘫痪。钡的这些作用可能部分是由于钡引起的神经肌肉阻滞和膜去极化。

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. (L214)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 致癌性证据

A4；不可分类为人类致癌物。/钡和可溶性化合物，以Ba计/

A4; Not classifiable as a human carcinogen. /Barium and soluble cmpd, as Ba/

来源:Hazardous Substances Data Bank (HSDB)

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

不同钡化合物的健康影响取决于化合物在水中或胃内容物中的溶解程度。在低剂量时，钡作为一种肌肉刺激剂，而更高的剂量则影响神经系统，导致心脏不规律、震颤、无力、焦虑、呼吸困难、麻痹甚至可能死亡。钡还可能引起胃肠不适，损害肾脏并导致体重下降。

The health effects of the different barium compounds depend on how well the compound dissolves in water or the stomach contents. At low doses, barium acts as a muscle stimulant, while higher doses affect the nervous system, causing cardiac irregularities, tremors, weakness, anxiety, dyspnea, paralysisand possibly death. Barium may also cause gastrointestinal disturbances, damage the kidneys and cause decreases in body weight. (L214)

来源:Toxin and Toxin Target Database (T3DB)

吸收、分配和排泄

每只大鼠（未提供品种）被给予0.06毫克的钡（以碳酸钡形式）。大部分剂量在3天内从注射部位被吸收。280天后，初始剂量的20%仍留在体内（大部分在骨骼中）。1小时时，平均碳酸钡浓度是氯化钡的50%。

0.06 mg barium/animal (as barium carbonate) was given im to rats (strain not given). Most of the dose was resorbed from the injection site within 3 days. 20% of the initial dose remained in the body (mostly in the skeleton) after 280 days. Average barium carbonate concentration at 1 hr was 50% that of barium chloride.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

...对 Sprague-Dawley 大鼠（雄性）通过胃管给予放射性钡盐（氯化钡、硫酸钡或碳酸钡），研究了特定钡盐阴离子的吸收情况。实验中包括了禁食（24小时）和不禁食的大鼠（未提供品系）。动物在给药后2至480分钟内被处死，并测量血液中钡的浓度。总的来说，禁食动物血液中钡的浓度更高，在给药后15分钟达到峰值，而不禁食动物的钡血浓度较低，在给药后60分钟达到峰值。碳酸钡和硫酸钡的峰值血浓度分别是氯化钡的45%和85%。

... The absorption of specific barium salt anions /was examined/ in male Sprague-Dawley rats administered radiolabelled barium chloride, sulfate, or carbonate to fasted (24 hr) and non-fasted rats /strain not given/ by gastric intubation. Animals were sacrificed from 2 to 480 min after administration and blood concentrations were measured. In general, barium blood concentrations were higher in fasted animals and reached a peak 15 min after dosing, whereas non-fasted animals had lower barium blood concentrations and peaked 60 min after dosing. The peak blood concentration of the carbonate and sulfate salts were 45% and 85%, respectively, of that of the chloride.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

在一项研究中，未指明品种的大鼠通过饮用水暴露于氯化钡和碳酸钡，研究发现摄入后24小时的非骨骼组织分布如下：心脏 > 眼睛 > 骨骼肌 > 肾脏 > 血液 > 肝脏（该研究中未检查骨骼组织）。

A study ... in which rats /strain not given/ were exposed to barium chloride and barium carbonate in drinking water found the following non-skeletal distribution (skeletal tissue was not examined in the study) 24 hours after ingestion: heart > eye > skeletal muscle > kidney > blood > liver.

来源:Hazardous Substances Data Bank (HSDB)

反应信息

• 作为反应物：
  描述：

  barium carbonate 在 Cu^II(atsm) 、 维生素 C 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 碳十三甲醇
  参考文献：
  名称：

  A bis(thiosemicarbazonato)-copper complex, a new catalyst for electro- and photo-reduction of CO₂ to methanol

  摘要：

  一种双(硫代脒半胱氨酸酮)-铜配合物，一种用于将CO₂电化学和光还原为甲醇的新催化剂。

  DOI：

  10.1039/c9nj05672f
• 作为产物：
  描述：

  过氧化钡 在 air 作用下， 以30%的产率得到barium carbonate
  参考文献：
  名称：

  Sysoev, V. F.; Mali, V. I., Inorganic Materials, 1993, vol. 29, p. 97 - 103

  摘要：

  DOI：
• 作为试剂：
  描述：

  10,12-Di-O-acetyl-iso-bilobalid 在 盐酸 、 lithium aluminium tetrahydride 、 溴 、 barium carbonate 作用下， 以 吡啶 、 水 、 溶剂黄146 为溶剂， 反应 120.33h， 生成 10-O-Pivaloylbilobalid
  参考文献：
  名称：

  Weinges, Klaus; Hepp, Michael; Huber-Patz, Ursula, Liebigs Annalen der Chemie, 1987, p. 1079 - 1086

  摘要：

  DOI：

文献信息

• Thermal decomposition of carbonates, carboxylates, oxalates, acetates, formates, and hydroxides
  作者：Jacob Mu、D.D. Perlmutter

  DOI：10.1016/0040-6031(81)80175-x

  日期：1981.11

  Abstract A study is reported of the controlled decomposition of various metal carbonates, carboxylates, oxalates, acetates, formates and hydroxides and their common hydrates, carried out in a thermogravimetric analyzer, a differential scanning calorimeter, and a differential thermal analyzer. Various sample sizes, heating rates, and ambient atmospheres were used to demonstrate their influence on the

  摘要 报道了在热重分析仪、差示扫描量热仪和差示热分析仪中进行的各种金属碳酸盐、羧酸盐、草酸盐、乙酸盐、甲酸盐和氢氧化物及其常见水合物的受控分解的研究。使用各种样品尺寸、加热速率和环境气氛来证明它们对结果的影响。给出了中间化合物、每种化合物的分解温度范围和反应动力学的结果。
• The tin(II) halogen-substituted acetates
  作者：J. D. Donaldson、A. Jelen

  DOI：10.1039/j19680002244

  日期：——

  The solid products obtained from various tin(II)–halogen-substituted acetate systems are reported. Normal halogeno- and dihalogeno-acetates, and derivatives of the complex tri(halogenoacetato)stannate(II) species have been prepared and characterised by their infrared and X-ray data. The thermal decompositions of these materials have been studied in detail and their stability to hydrolysis reported

  据报道，从各种锡（II）-卤素取代的乙酸盐体系中获得的固体产物。制备了普通的卤代和二卤代乙酸酯，以及复杂的三（卤代乙酰基）锡酸酯（Ⅱ）的衍生物，并通过其红外和X射线数据对其进行了表征。已对这些材料的热分解进行了详细研究，并报道了其对水解的稳定性。
• Composition dependent 3C and 6H perovskites, A3MTiSbO9 (A = Sr, Ba; M = Mn, Co): Structural, magnetic and dielectric properties
  作者：Lalit Kumar、Joydeep Datta、Partha Pratim Ray、Tapas Kumar Mandal

  DOI：10.1016/j.jssc.2019.121116

  日期：2020.2

  compounds of the title series, A3MTiSbO9 (A = Sr, Ba; M = Mn, Co), are prepared by conventional solid-state reactions. Rietveld structure refinements establish stabilization of complete B-site disordered 3C perovskite structures (space group Pm-3m, No.221) for the Sr containing compounds with all corner connected MIII/TiIV/SbVO6 octahedra, while for Ba analogs a 6H perovskite structure (space group

  标题系列的化合物A 3 MTiSbO 9（A = Sr，Ba; M = Mn，Co）是通过常规固态反应制备的。Rietveld结构的改进为含Sr的化合物（所有角连接为M III / Ti IV / Sb V O 6八面体）建立了完整的B位无序3C钙钛矿结构（空间群Pm -3 m，编号221）的稳定化。类似物6H钙钛矿结构（空间群P 6 3 / mmc（第194号），采用角和边共享八面体连接。尽管HR-TEM和SAED重申了上述结构类型，但XPS支持过渡金属Mn和Co的+3氧化态。磁性数据显示，六方钙钛矿，Ba 3 MnTiSbO 9和Ba 3 CoTiSbO的顺磁行为低至5K。如图9所示，立方钙钛矿Sr 3 MnTiSbO 9和Sr 3 CoTiSbO 9分别在〜10 K和20 K处显示出反铁磁型跃迁。在Sr 3 CoTiSbO 9的M-H数据中看到的低温（5 K）滞后行为表示非常弱的铁磁
• Stabilization of a Tetrahedral (Mn⁵⁺O₄) Chromophore in Ternary Barium Oxides as a Strategy toward Development of New Turquoise/Green-Colored Pigments
  作者：Sourav Laha、Subramani Tamilarasan、Srinivasan Natarajan、Jagannatha Gopalakrishnan

  DOI：10.1021/acs.inorgchem.5b02957

  日期：2016.4.4

  Mn5+O4 occurs in Ba3(VO4)2 forming the entire solid solution series Ba3(V1–xMnxO4)2 (0 < x ≤ 1.0), while with the corresponding strontium derivative, only up to about 10% of Mn5+O4 substitution is possible. Ca3(VO4)2 and YVO4 do not stabilize Mn5+O4 at all. With Ba2MO4 (M = Ti, Si), we could prepare only partially substituted materials, Ba2M1–xMn5+xO4+x/2 for x up to 0.15, that are turquoise-colored

  绿松石色生色团Mn 5+ O 4在各种氧化物主体（即A 3（VO 4）2（A = Ba，Sr，Ca），YVO 4和Ba 2 MO 4）中的稳定性的实验研究（M ＝ Ti，Si），已经进行。结果表明，Mn 5+ O 4的取代发生在Ba 3（VO 4）2中，形成了整个固溶体系列Ba 3（V 1– x Mn x O 4）2（0 < x≤1.0），而使用相应的锶衍生物时，最多只能置换大约10％的Mn 5+ O 4。Ca 3（VO 4）2和YVO 4完全不能稳定Mn 5+ O 4。使用Ba 2 MO 4（M = Ti，Si），我们只能制备部分取代的材料，对于x，Ba 2 M 1– x Mn 5+ x O 4+ x / 2最高0.15，为绿松石色。我们合理化了结果，即在存在正电钡的情况下，O 2p价带态发生了很大的稳定化，这使得含PO 4 3–，VO 4 3–等的含氧阴离子化合物中的Mn 5+氧化态可
• Investigation of Sm substitution on structural and superconducting properties of Y 1 Ba 2−x Sm x Cu 3 O 7−δ superconductors
  作者：L. Sharifzadegan、H. Sedghi

  DOI：10.1016/j.physc.2018.02.026

  日期：2018.7

  substituting Sm instead of Ba was investigated on the structural and superconducting properties of the samples. Measurement of electrical resistance and critical temperature was done using 4-Probe connection method. Results indicate that Sm substitution affects the YBSCO superconducting samples, decrease the transition temperature of the superconductor and increases the special electrical resistance and

  在这项工作中，名义组成的样本 ÿ1个乙一种2-X小号米XCü3Ø7-δ通过固态反应法制备具有Sm取代基（X ＝ 0.00、0.01、0.03、0.05）。研究了用Sm代替Ba对样品的结构和超导性能的影响。电阻和临界温度的测量使用4-探针连接方法进行。结果表明，Sm取代影响YBSCO超导样品，降低超导体的转变温度，并增加特殊电阻和转变宽度。同样，X射线衍射研究表明，在所有Y–123相样品中，其形成和结构都是正交的。SEM图像显示，由于晶粒生长的破坏，样品中的孔隙率随Sm的增加而增加，相反，样品中Sm的增加导致晶粒尺寸减小。

表征谱图