无水碳酸镉 | 739319-89-2

• 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
• 中文名称: 无水碳酸镉
• 英文名称: cadmium(II) carbonate
• 英文别名: cadmium carbonate；anhydrous cadmium carbonate；Cadmium, [carbonato(2-)-|EO]-；cadmium(2+);carbonate
• CAS: 739319-89-2
• 化学式: CO₃*Cd
• 分子量: 172.419
• InChiKey: GKDXQAKPHKQZSC-UHFFFAOYSA-L

物化性质

• 颜色/状态：
  White, hexagonal crystals
• 熔点：
  500 °C (decomposes)
• 溶解度：
  Soluble in concentrated solutions of ammonium salts, dilute acids.
• 密度：
  5.026 g/cu cm
• 稳定性/保质期：
  STABLE
• 分解：
  When heated to decomposition it emits toxic fumes of cadmium.

计算性质

• 辛醇/水分配系数(LogP)：
  -2.45
• 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

镉可以通过口服、吸入和皮肤途径被吸收。镉最初与金属硫蛋白和清蛋白结合，并主要运输到肾脏和肝脏。当镉的浓度超过了可用金属硫蛋白的浓度时，就会观察到毒性效应，而且已经证明镉-金属硫蛋白复合物可能具有损害性。镉不为人所知的是进行任何直接的代谢转化，并以原形排出，主要在尿液中。

Cadmium is absorbed from oral, inhalation, and dermal routes. Cadmium initially binds to metallothionein and albumin and is transported mainly to the kidney and liver. Toxic effects are observed once the concentration of cadmium exceeds that of available metallothionein, and it has also been shown that the cadmium-metallothionein complex may be damaging. Cadmium is not known to undergo any direct metabolic conversion and is excreted unchanged, mainly in the urine. (L6)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 毒性总结

镉最初与金属硫蛋白结合，并运输到肾脏。当镉的浓度超过了可用金属硫蛋白的量时，就会观察到毒性效应，而且已经证实镉-金属硫蛋白复合物可能具有损害性。肾脏中镉的积累导致重要低分子量和高分子量蛋白的排泄增加。镉是锌的高亲和力类似物，能够干扰其生物过程。它还与雌激素受体结合并激活它，可能会刺激某些类型的癌细胞生长并引起其他雌激素效应，如生殖功能障碍。镉通过激活丝裂原活化蛋白激酶导致细胞凋亡。(L8, A18, A19, A28)

Cadmium initially binds to metallothionein and is transported to the kidney. Toxic effects are observed once the concentration of cadmium exceeds that of available metallothionein, and it has also been shown that the cadmium-metallothionein complex may be damaging. Accumulation of cadmium in the kidney results in increased excretion of vital low and high weight molecular proteins. Cadmium is a high affinity zinc analog and can interfere in its biological processes. It also binds to and activates the estrogen receptor, likely stimulating the growth of certain types of cancer cells and causing other estrogenic effects, such as reproductive dysfunction. Cadmium causes cell apoptosis by activating mitogen-activated protein kinases. (L8, A18, A19, A28)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 致癌性证据

评估：有足够的人类证据表明镉及其化合物具有致癌性。有足够的实验动物证据表明镉化合物具有致癌性。对于镉金属的致癌性，实验动物中存在有限的证据。在进行整体评估时，工作组考虑到了证据表明离子态镉会在包括人类细胞在内的多种真核细胞中引起遗传毒性效应。总体评估：镉及其化合物对人类具有致癌性（第1组）。/镉及其化合物/

Evaluation: There is sufficient evidence in humans for the carcinogenicity of cadmium and cadmium compounds. There is sufficient evidence in experimental animals for the carcinogenicity of cadmium compounds. There is limited evidence in experimental animals for the carcinogenicity of cadmium metal. In making the overall evaluation, the Working Group took into consideration the evidence that ionic cadmium causes genotoxic effects in a variety of types of eukaryotic cells, including human cells. Overall evaluation: Cadmium and cadmium compounds are carcinogenic to humans (Group 1). /Cadmium and cadmium compounds/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 致癌性证据

分类：B1；可能的人类致癌物。分类依据：有限的职业流行病学研究证据表明，镉在不同的研究者和研究人群中的结果是一致的。有充分的证据表明，通过吸入、肌肉注射和皮下注射，镉在大鼠和小鼠中具有致癌性。在大鼠和小鼠中进行的七项研究中，口服镉盐（醋酸盐、硫酸盐、氯化物）没有显示出致癌反应的证据。人类致癌性数据：有限。/根据前美国环保署指南进行分类/

CLASSIFICATION: B1; probable human carcinogen. BASIS FOR CLASSIFICATION: Limited evidence from occupational epidemiologic studies of cadmium is consistent across investigators and study populations. There is sufficient evidence of carcinogenicity in rats and mice by inhalation and intramuscular and subcutaneous injection. Seven studies in rats and mice wherein cadmium salts (acetate, sulfate, chloride) were administered orally have shown no evidence of carcinogenic response. HUMAN CARCINOGENICITY DATA: Limited. /Classification based on former EPA guidelines/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 致癌性证据

A2；可疑的人类致癌物。/镉及其化合物，如Cd/

A2; Suspected human carcinogen. /Cadmium and compounds, as Cd/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 致癌性证据

镉和镉化合物：已知是人类致癌物。

Cadmium and Cadmium Compounds: known to be human carcinogens.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

大麦（Hordeum vulgare L.）、玉米（Zea mays L.）和小麦（Triticum vulgare L.）这些谷物作物在温室中种植，使用的是沙质土壤，并添加了不同剂量的碳酸镉（盐）、碳酸铜（孔雀石）、碳酸铅（白铅矿）和碳酸锌（史密斯逊石）。这些金属的使用水平如下：镉 - 5、10、50微克/克土壤；铜和铅 - 50、100、500微克/克土壤；锌 - 150、300、1500微克/克土壤。采用顺序提取法将金属划分为五个操作定义的组分：可交换态、碳酸盐态、Fe-Mn氧化物态、有机态和残渣态。在未处理的（对照）土壤中，残渣态是所有研究金属中最丰富的组分（占总金属含量的50%至60%）。未处理土壤中可交换的镉、铜、铅和锌的浓度相对较低，但在处理过的土壤中，镉、锌和铜的浓度在三年期间有所增加，而铅的变化很小。这个实验显示，种植在处理过的土壤上的植物体内镉、锌和铜的含量显著增加，但相对于铅浓度，植物体内的变化不显著。

The cereal crops (barley - Hordeum vulgare L., maize - Zea mays L., wheat - Triticum vulgare L.) were grown in a greenhouse using a sandy soil type treated with various doses of cadmium carbonate (salt), copper carbonate (malachite), lead carbonate (cerussite), and zinc carbonate (smithsonite), added jointly. The following levels of these metals were used: Cd - 5, 10, 50 ug g-1 soil; Cu and Ph-50, 100, 500 ug g-1 soil; Zn-150, 300, 1500 ug g-1 soil. Sequential extraction was adopted to partition the metals into five operationally-defined fractions: exchangeable, carbonate, Fe-Mn oxides, organic, and residual. The residual was the most abundant fraction in the untreated (control) soil for all the metals studied (50 to 60% of the total metal content). The concentrations of exchangeable Cd, Cu, Pb, and Zn were relatively low in untreated soil but increased (over the three year period) in treated soils for Cd, Zn, and Cu, whereas only small changes were observed for Pb. This experiment showed a significant increase in Cd, Zn, and Cu in tissue of plants grown on the treated soil, but a non-significant change in plant tissue with respect to Pb concentration.

来源:Hazardous Substances Data Bank (HSDB)

反应信息

• 作为反应物：
  描述：

  无水碳酸镉 以 neat (no solvent) 为溶剂， 生成 cadmium(II) oxide
  参考文献：
  名称：

  TG热分解碳酸镉的影响因素

  摘要：

  摘要 对于碳酸镉（CDC）的热分解（TG（和DTA）），许多工作人员报告了相互矛盾的结果。因此，已经报道了这种分解的各种活化能 E 和机制。本文的目的是检查可能影响 CDC 分解的各种因素，以试图解释先前报告的这种分解的相互矛盾的结果。在这方面，使用非等温 TG 对该反应进行了研究，以确定所研究的各种因素是否对 E 和机制有明显的影响。使用和讨论的各种因素是：样品重量、加热速率、吹扫气体类型、吹扫气体流速和颗粒大小。

  DOI：

  10.1016/0040-6031(89)87249-1
• 作为产物：
  描述：

  cadmium oxalate trihydrate 在 oxygen 作用下， 以 水 为溶剂， 生成 无水碳酸镉
  参考文献：
  名称：

  Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Cd: SVol., 13.2, page 649 - 659

  摘要：

  DOI：
• 作为试剂：
  描述：

  2,2-二甲基-1,3-环己烷二酮 在 sodium tetrahydroborate 、 无水碳酸镉 、 sodium methylate 、 对甲苯磺酸 、 mercury dichloride 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 水 、 苯 为溶剂， 反应 53.7h， 生成 (S)-(-)-3,3-dimethyl-4-tetrahydropyranyloxy-1-cyclohexenecarbaldehyde
  参考文献：
  名称：

  （1s，5r）-卡拉汉娜醚和（1s，5r）-卡拉汉娜内酯的合成，这是独特的单萜类化合物的光学活性形式

  摘要：

  （1S，5R）-（-）-Karahana醚（8,8-二甲基-2-亚甲基-6-氧杂双环[3.2.1]辛烷）和（1S，5R）-（-）-卡拉汉纳内酯（8由（S）-3-羟基-2，2-二甲基环己酮合成了1，8-二甲基-2-亚甲基-6-氧杂双环[3.2.1] octan-7-酮。天然卡拉汉纳内酯显示出几乎是外消旋的（约1.3％ee）。

  DOI：

  10.1016/s0040-4020(01)91348-1

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。
• Polymeric and bimetallic complexes of diisopropyl monothiophosphate
  作者：Julian R. Phillips、Julia C. Poat、Alexandra M. Z. Slawin、David J. Williams、Paul T. Wood、J. Derek Woollins

  DOI：10.1039/dt9950002369

  日期：——

  The single stage preparation of M[O(S)P(OPri)2]n(n= 2, M = Zn 1, Co 2 or Cd 3; n= 1, M = NH4+4) from HPO(OPri)2, sulfur and ZnO, CoCO3, CdCO3 or NH3 has been achieved. The reaction of 1 with cis-[PtCl2(PMe2Ph)2] and [PPh4][MCl3(PMe2Ph)](M = Pt or Pd) gave [(PMe2Ph)2PtO(S)P(OPri)2}2ZnCl2]5 and [(PMe2Ph)MO(S)P(OPri)2}3ZnCl](M = Pd 6 or Pt 7) respectively. The crystal structures of 3, 6 and 7 have been

  从HPO（OPr）一步制备M [O（S）P（OPr i）2 ] n（n = 2，M = Zn 1，Co 2或Cd 3 ; n = 1，M = NH 4 + 4）i）2，已获得硫和ZnO，CoCO 3，CdCO 3或NH 3。的反应1与顺式[氯铂酸- 2（PME 2 PH）2 ]和[PPH 4 ] [的MC1 3（PME 2Ph）]（M = Pt或Pd）得到[（PMe 2 Ph）2 Pt O（S）P（OPr i）2 } 2 ZnCl 2 ] 5和[（PMe 2 Ph）M O（S）P （OPr i）2 } 3 ZnCl]（M = Pd 6或Pt 7）。已经确定了3、6和7的晶体结构。镉络合物3以Cd 2 [O（S）P（OPr i）2 ] 3单元的形式存在，并通过其他单硫代磷酸酯配体连接到聚合物链中。复合体6和7是同构的，并包含与方形铂原子连接的四面体锌中心，而聚合物的形成受PMe 2 Ph配体的存在抑制。
• Synthesis and characterization of new metal(II) complexes with formates and some nitrogen donor ligands
  作者：D. Czakis-Sulikowska、A. Czylkowska、J. Radwańska-Doczekalska、R. Grodzki、E. Wojciechowska

  DOI：10.1007/s10973-006-7980-9

  日期：2007.11

  New mixed-ligands complexes with empirical formulae: M(2,4′-bpy)2L2·H2O (M(II)Zn, Cd), Zn(2-bpy)3L2·4H2O, Cd(2-bpy)2L2·3H2O, M(phen)L2·2H2O (where M(II)=Mn, Ni, Zn, Cd; 2,4′-bpy=2,4′-bipyridine, 2-bpy=2,2′-bipyridine, phen=1,10-phenanthroline, L=HCOO−) were prepared in pure solid state. They were characterized by chemical, thermal and X-ray powder diffraction analysis, IR spectroscopy, molar conductance in MeOH, DMF and DMSO. Examinations of OCO− absorption bands suggest versatile coordination behaviour of obtained complexes. The 2,4′-bpy acts as monodentate ligand; 2-bpy and phen as chelating ligands. Thermal studies were performed in static air atmosphere. When the temperature raised the dehydration processes started. The final decomposition products, namely MO (Ni, Zn, Cd) and Mn3O4, were identified by X-ray diffraction.

  新型的混合配体配合物，其经验公式为：M(2,4′-bpy)2L2·H2O (M(II)=Zn, Cd), Zn(2-bpy)3L2·4H2O, Cd(2-bpy)2L2·3H2O, M(phen)L2·2H2O (其中 M(II)=Mn, Ni, Zn, Cd; 2,4′-bpy=2,4′-联吡啶，2-bpy=2,2′-联吡啶，phen=1,10-菲啰啉，L=HCOO−) 在纯固态中制备。这些配合物通过化学、热分析和X射线粉末衍射分析、红外光谱、在MeOH、DMF和DMSO中的摩尔电导率进行了表征。OCO−吸收带的检测表明所得配合物具有多样的配位行为。2,4′-bpy作为单齿配体；2-bpy和phen作为螯合配体。热研究在静态空气氛围中进行。当温度升高时，脱水过程开始。最终分解产物，即MO (Ni, Zn, Cd) 和 Mn3O4，通过X射线衍射鉴定。
• Syntheses and characterization of layered phenyl- and benzylphosphonates of tetravalent vanadium, Ca[(VO)(O3PPh)2]·2H2O, Cd[(VO)(O3PPh)2]·2H2O, Ba[(VO)(O3PCH2Ph)2]·2H2O, Sr[(VO)3(O3PPh)4]·5H2O and Ba[V4O4(OH)2(O3PPh)4]·5H2O
  作者：D. Elias Jesu Packiam、Kanamaluru Vidyasagar

  DOI：10.1016/j.jssc.2018.10.047

  日期：2019.2

  benzylphosphonates of tetravalent vanadium, Ca(VO)(O3PPh)2·2H2O(1), Cd(VO)(O3PPh)2·2H2O(2), Ba(VO)(O3PCH2Ph)2·2H2O(3), Sr(VO)3(O3PPh)4·5H2O(4) and Ba[V4O4(OH)2(O3PPh)4]·5H2O(5), were synthesized under hydrothermal conditions and structurally characterized by single crystal and powder X-ray diffraction, CHN analyses, infra-red spectroscopic, magnetic and thermal studies. They have layered structures, wherein the

  五价钒的五种新的苯基和苄基膦酸酯，Ca（VO）（O 3 PPh）2 ·2H 2 O（1），Cd（VO）（O 3 PPh）2 ·2H 2 O（2），Ba（VO） （O 3 PCH 2 Ph）2 ·2H 2 O（3），Sr（VO）3（O 3 PPh）4 ·5H 2 O（4）和Ba [V 4 O 4（OH）2（O 3 PPh）4 ]·5H 2 O（5）是在水热条件下合成的，其结构通过单晶和粉末X射线衍射，CHN分析，红外光谱，磁和热研究进行表征。它们具有层状结构，其中钒和碱土金属或镉金属离子近似地限制在结晶平面上，并结合到苯基/苄基膦酸酯部分的氧原子和结晶水中。化合物的结构1 - 3是新型的，而化合物4和5具有已知的类型的结构。 根据居里-魏斯定律，发现它们在20-300 K区域的磁化率随温度而变化。化合物1和图2示出了相位匹配的第二谐波产生响应。
• Structure of the Complex Arsenates NaCa2M2+2 (AsO4)3 (M2+ = Mg, Ni, Co): First Experimental Evidence of a Garnet-Alluaudite Reversible Polymorphism
  作者：S. Khorari、A. Rulmont、R. Cahay、P. Tarte

  DOI：10.1006/jssc.1995.1343

  日期：1995.9

  high-temperature polymorph of the garnet arsenates NaCa2M2+2 (AsO4)3 (M2+ = Mg, Co, Ni) has an alluaudite-like structure. This is the first experimental evidence of a garnet-alluaudite reversible polymorphism. The cation distribution has been deduced from previous studies of similar compounds: the relatively small M2+ cations are located on the octahedral M(2) sites of the alluaudite structure; the

  通过X射线粉末衍射显示，石榴石的高温多晶型物砷化钠NaCa 2 M 2+ 2（AsO 4）3（M 2+＝ Mg，Co，Ni）具有像钙铝石状的结构。这是石榴石-铝矾土可逆多态性的第一个实验证据。从以前对类似化合物的研究中得出了阳离子的分布：相对较小的M 2+阳离子位于变铝石结构的八面体M（2）位置；Na + + 2Ca 2+阳离子在X（2），X（1）和M（1）个站点应部分无序。介绍了镁化合物的两种多晶型物（石榴石和铝榴石）的振动光谱（拉曼光谱和红外光谱），并在进行因素组分析和对称允许振动相互作用的基础上进行了简要讨论。这些光谱表现出一定的扩散性，与影响阳离子分布的部分无序一致。讨论了石榴石-铝矾土多态性其他情况的可能发生。

表征谱图