cadmium diacetate | 944155-27-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: cadmium diacetate
• 英文别名: cadmium(II) acetate；cadmium acetate；cadmium(2+);diacetate
• CAS: 944155-27-5
• 化学式: C₄H₆CdO₄
• 分子量: 230.499
• InChiKey: LHQLJMJLROMYRN-UHFFFAOYSA-L

物化性质

• 物理描述：
  Cadmium acetate is an odorless colorless solid. Sinks and mixes with water. (USCG, 1999)
• 颜色/状态：
  Colorless crystals
• 气味：
  Odor of acetic acid
• 熔点：
  255 °C
• 溶解度：
  Soluble in water, ethanol
• 密度：
  2.34 at 68 °F (USCG, 1999)
• 稳定性/保质期：
  STABILITY DURING TRANSPORT: 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)：
  -2.49
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  80.3
• 氢给体数：
  0
• 氢受体数：
  4

ADMET

代谢

镉可以通过口腔、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。镉不为人所知地经历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水平时，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，可能刺激某些类型癌细胞的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，实验动物中提供的证据有限。在做出整体评估时，工作组考虑到了证据，即离子镉会在包括人类细胞在内的各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：来自职业流行病学研究中的镉证据有限，但在调查者和研究人群之间是一致的。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。在大鼠和小鼠的七个研究中，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：已知为人类致癌物。

Cadmium and Cadmium Compounds: known to be human carcinogens.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

蒙古沙鼠在12周的时间内通过腹腔注射微量的(115)CD-镉醋酸盐。在3周的平衡期后，沙鼠被处死。与其他物种一样，镉在肝脏和肾脏中的含量高于其他组织。

MONGOLIAN GERBILS WERE INJECTED IP WITH TRACE QUANTITIES OF (115)CD-CADMIUM ACETATE OVER 12 WK PERIOD. AFTER 3 WK EQUILIBRATION PERIOD GERBILS WERE SACRIFICED. AS IN OTHER SPECIES, CADMIUM LEVELS WERE HIGHER IN LIVER & KIDNEYS THAN IN OTHER TISSUES.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

口服给药2毫克镉作为醋酸镉后48小时和96小时，软壳龟的组织保留了9.43%和4.02%的给药剂量作为镉。肝脏保留了最多的镉。每克湿重的镉浓度在48小时时最高在肠道，而在96小时时在肝脏。

FORTY-EIGHT & 96 HR AFTER ORAL ADMIN OF 2 MG CADMIUM AS CADMIUM ACETATE, THE TISSUES OF SOFTSHELL TURTLE RETAINED 9.43 & 4.02% OF ADMIN DOSE AS CADMIUM. LIVER RETAINED GREATEST AMT. CADMIUM CONCN PER G WET WT WAS HIGHEST IN INTESTINES AT 48 HR, & IN LIVER AT 96 HR.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

雄性大鼠通过腹腔注射醋酸镉（1毫克镉/千克体重，每天一次）处理8天，然后隔离肝脏，将其匀浆，上清液通过Sephadex G-75柱层析分离，并使用原子吸收光谱法分析各组分中的镉和锌含量。少量的镉与高分子量蛋白组分（组分A）结合，而大部分镉与金属硫蛋白组分（组分B）结合。此外，除了与高分子量蛋白组分和金属硫蛋白组分结合外，锌还与位于高分子量蛋白组分和金属硫蛋白组分之间的第三个组分结合。在停止醋酸镉处理后3天和8天测定的所有组分中的镉和锌浓度几乎没有变化。组分B中的锌含量大约是其他组分的两倍，而镉+锌的含量随时间减少（即3天与8天相比）。金属硫蛋白组分中的锌/镉的摩尔比略有下降（即停止治疗后的第8天的比值略低于第3天）。

Male rats treated ip with cadmium acetate (1 mg Cd/kg, daily) for 8 days, then the liver was isolated, homogenized, the supernatant fractionated on Sephadex G-75, and the fractions analyzed by atomic absorption spectroscopy for cadmium and zinc. A small amount of cadmium was bound to a high molecular weight protein fraction (fraction A) and the majority of cadmium was bound to metallothionein fraction (fraction B). In addition, to a binding to high molecular weight protein fraction and metallothionein fraction, zinc also bound to a third fraction located between high molecular weight protein fraction and metallothionein fraction. Concentrations of cadmium and zinc in all fractions remained almost unchanged when determined 3 and 8 days after termination of treatment with cadmium acetate. The zinc content in fraction B was approximately two fold that in other fractions, and the content of cadmium + zinc decreased with time (ie 3 days vs 8 days). The molar ratio of zinc/cadmium in metallothionein fraction slightly decreased (ie the ratio on day 8 was slightly lower than that on day 3 after cessation of treatment).

来源:Hazardous Substances Data Bank (HSDB)

反应信息

• 作为反应物：
  描述：

  cadmium diacetate 生成 氧化镉
  参考文献：
  名称：

  CHU, T. L.;CHU, SHIRLEY S., J. ELECTRON. MATER., 19,(1990) N, C. 1003-1005

  摘要：

  DOI：
• 作为产物：
  描述：

  高纯二甲基镉 生成 cadmium diacetate
  参考文献：
  名称：

  MAKEEVA, E. P.;SPIRIDONOVA, E. YA., GIGIENA TRUDA I PROF. ZABOLEV. ,(1990) N2, S. 48-51

  摘要：

  DOI：
• 作为试剂：
  描述：

  1H-吲唑-6-甲腈 、 C.I.酸性橙108 在 cadmium diacetate 水 、 乙酸乙酯 、 Brine 、 Sodium sulfate-III 作用下， 反应 2.0h， 以to give 6-(4,5-dihydro-1,3-oxazol-2-yl)-1H-indazole (9-1) as a brown solid的产率得到6-(4,5-dihydro-1,3-oxazol-2-yl)-1H-indazole
  参考文献：
  名称：

  Identification of Compounds Suitable for Treating Ad

  摘要：

  本发明提供了一种筛选抑制tau超磷酸化的化合物的方法，因此适用于治疗AD和相关疾病。

  公开号：

  US20090192155A1

文献信息

• Mechanistic Study of the Synthesis of CdSe Nanocrystals: Release of Selenium
  作者：Raúl García-Rodríguez、Haitao Liu

  DOI：10.1021/ja209246z

  日期：2012.1.25

  pathway for the cleavage of the P═Se bond in trialkylphosphine selenide during the synthesis of CdSe nanocrystals. The reaction between cadmium carboxylate and trimethylphosphine selenide in the presence of an alcohol produces alkoxytrimethylphosphonium (2). Control experiments and density functional theory calculations suggested that the cleavage of the P═Se bond is initiated by nucleophilic attack of carboxylate

  我们概述了在 CdSe 纳米晶体合成过程中三烷基膦硒化物中 P=Se 键断裂的反应途径。羧酸镉与三甲基硒化膦在醇存在下反应生成烷氧基三甲基鏻 (2)。对照实验和密度泛函理论计算表明，P=Se 键的裂解是由羧酸盐对 Cd(2+) 活化的硒化膦的亲核攻击引发的，以产生酰氧基三烷基鏻中间体 (1)，在酒精的存在。
• Aminoglycoside antibiotic compounds
  申请人：Schering Corporation

  公开号：US04230847A1

  公开（公告）日：1980-10-28

  Selective blocking of some amino groups in a polyamino organic compound having at least one pair of available neighboring hydroxyl and amino groups is effected by first preparing in situ transition metal salt complexes of available neighboring amino and hydroxyl group pairs in said polyamino organic compound, followed by introduction of blocking groups on the non-complexed amino groups and, finally, removing the transition metal cations from the selectively N-blocked polyamino organic compound complex to obtain a polyamino organic compound having selectively blocked amino groups. This process is particularly valuable when carrying out aminocyclitol-aminoglycoside transformations utilizing transition metal salt complexes of cupric acetate, nickel (II) acetate, cobalt (II) acetate or mixtures thereof.

  在至少具有一对可用相邻羟基和氨基的多氨基有机化合物中，通过首先制备所述多氨基有机化合物中可用的相邻氨基和羟基对的原位过渡金属盐络合物，然后在非络合氨基上引入阻断基，最后从选择性N-阻断的多氨基有机化合物络合物中去除过渡金属阳离子，以获得具有选择性阻断氨基的多氨基有机化合物。当使用乙酸铜、乙酸镍（II）、乙酸钴（II）或其混合物的过渡金属盐络合物进行氨基环糖苷转化时，此过程特别有价值。
• Diffusion procedure for semiconductor compound
  申请人：AT&T Bell Laboratories

  公开号：US04502898A1

  公开（公告）日：1985-03-05

  A process is described for doping compound semiconductors using a metal fluoride (e.g., ZnF.sub.2) as the source of dopant. The anhydrous metal fluoride is put down on the surface of the compound semiconductor, capped with a suitable encapsulant and heat treated to promote the diffusion. The heat treatment can be carried out in air without danger of surface damage to the compound semiconductor. Also, the diffusion is better controlled as to depth of diffusion and boundary delineation.

  本文介绍了一种使用金属氟化物（例如ZnF.sub.2）作为掺杂源的化合物半导体掺杂工艺。将无水金属氟化物沉积在化合物半导体表面上，用适当的封装剂封盖，并进行热处理以促进扩散。热处理可以在空气中进行，不会对化合物半导体表面造成损伤。此外，扩散的深度和边界划分更易于控制。
• Transition metal salt complexes of polyamino organic compounds
  申请人：Schering Corporation

  公开号：US04337335A1

  公开（公告）日：1982-06-29

  Described are transition metal salt complexes of available neighboring amino and hydroxyl group pairs in polyamino organic compounds, their preparation, and use as intermediates in the preparation of selectively N-blocked polyamino organic compounds.

  本文描述了在多氨基有机化合物中可用的相邻氨基和羟基对的过渡金属盐配合物，它们的制备以及作为选择性N-阻断多氨基有机化合物制备的中间体的用途。
• Liquid-liquid interfacial synthetic method for nanosemiconductor luminous material
  申请人：Pan Daocheng

  公开号：US20050221516A1

  公开（公告）日：2005-10-06

  The present invention provides a process for producing a nanosemiconductor luminous material on a liquid-liquid interface, comprising the steps of: a) an oxide of a Group IIB metal and a carboxylic acid with 2-18 carbon atoms or an oleic acid reacting with each other in a solvent at 150-300° C. for 5-30 min, wherein the mol ratio of the oxide to the acid being 1˜5:5˜1; b) adding trioctylphosphine oxide and trioctylphosphine with a mol ratio of trioctylphosphine oxide to trioctylphosphine of 10˜1:1˜10 and a mol ratio of the total mol numbers of trioctylphosphine oxide to the oxide of 10˜1:1˜10; c) adding an aqueous solution of at least one alkaline/alkaline earth metal chalcogenide in a mol ratio of the chalcogenide to the oxide of 10˜1:1˜10; and d) reacting at 20-100° C. for 0.5˜10 h to obtain a sol containing a semiconductor nanoparticle. The produced semiconductor nanoparticle can emit a wavelength-adjustable visible light under a UV lamp.

  本发明提供了一种在液-液界面上制备纳米半导体发光材料的方法，包括以下步骤：a）在溶剂中，将II B族金属的氧化物和碳数为2-18的羧酸或油酸在150-300℃反应5-30分钟，其中氧化物与酸的摩尔比为1~5:5~1；b）加入三辛基膦氧化物和三辛基膦，三辛基膦氧化物与三辛基膦的摩尔比为10~1:1~10，总三辛基膦氧化物摩尔数与氧化物的摩尔比为10~1:1~10；c）加入至少一种碱金属/碱土金属硫属化物的水溶液，硫属化物与氧化物的摩尔比为10~1:1~10；d）在20-100℃反应0.5~10小时，得到含有半导体纳米颗粒的溶胶。所制备的半导体纳米颗粒可以在紫外灯下发射可调波长的可见光。

表征谱图