cobalt(II) acetate | 944155-28-6

• 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: cobalt(II) acetate
• 英文别名: cobalt(2+);diacetate
• CAS: 944155-28-6
• 化学式: C₄H₆CoO₄
• 分子量: 177.082
• InChiKey: QAHREYKOYSIQPH-UHFFFAOYSA-L

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

钴通过肺部、胃肠系统和皮肤被吸收。由于它是维生素B12（氰钴胺）的一个组成部分，因此它被分布到身体的大部分组织中。它在血液中运输，通常与白蛋白结合，肝脏和肾脏中的含量最高。钴主要通过尿液和粪便排出。

Cobalt is absorbed though the lungs, gastrointestinal tract, and skin. Since it is a component of the vitamin B12 (cyanocobalamin), it is distributed to most tissues of the body. It is transported in the blood, often bound to albumin, with the highest levels being found in the liver and kidney. Cobalt is excreted mainly in the urine and faeces. (L29)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 毒性总结

识别和使用：醋酸钴是一种固体。它用作漆和清漆的漂白剂和干燥剂；在阳极氧化过程中；以及作为氧化和酯化的催化剂。牛饲料中的矿物质补充剂。人类暴露和毒性：急性人类暴露导致呕吐，上腹部剧痛和压痛，四肢疼痛伴有明显无力，呕血和便中潜血。在暴露于醋酸钴的照射HeLa细胞中，DNA链断裂累积并抑制修复。动物研究：通过胃管给大鼠给药后，急性效应包括镇静，腹泻和体温下降。大体病理检查显示肝脏，肾脏和心脏出血和营养不良变化。大鼠口服暴露导致血红蛋白和血细胞比容以及血浆蛋白的增加。出现了明显的血糖升高，以及血脂参数（如甘油三酯和胆固醇）的显著变化。在大鼠在轻度缺血条件下急性醋酸钴中毒后观察到神经学体征。据报道，它对仓鼠或大鼠没有致畸性。已经描述了氧化DNA碱基损伤。

IDENTIFICATION AND USE: Cobaltous acetate is a solid. It is used as a bleaching agent and drier for lacquers, varnishes; in anodizing; and as a catalyst for oxidation and esterification. Mineral supplement in cattle feed. HUMAN EXPOSURE AND TOXICITY: Acute human exposure led to vomiting, severe pain and tenderness in epigastrium, pain in limbs with marked weakness, hematemesis, and occult blood in stools. DNA strand breaks accumulated and repair was inhibited in irradiated HeLa cells exposed to cobaltous acetate. ANIMAL STUDIES: Following administration to rats by gastric intubation acute effects included sedation, diarrhea, and decreased body temperature. Gross pathology exam revealed hemorrhages and dystrophic changes in the liver, kidney, and heart. Oral exposure in rats led to increase in the hemoglobin and hematocrit as well as in the plasma proteins. There was significant hyperglycemia and also significant changes in the lipid parameters such as triglycerides and cholesterol. The neurological signs were observed in rats after acute cobaltous acetate intoxication under mild ischemic conditions. It was not reported to be teratogenic in hamsters or rats. Oxidative DNA base damage has been described.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 毒性总结

钴被认为通过氧化剂和自由基过程表现出其毒性。它产生氧自由基，并可能被氧化成离子态的钴，导致脂质过氧化增加、DNA损伤，并诱导某些酶，导致细胞凋亡。钴还被证明可以阻断无机钙通道，可能损害神经传递。钴还可以与硫辛酸螯合，损害丙酮酸或脂肪酸的氧化。此外，钴可能通过与锌指DNA修复蛋白相互作用来抑制DNA修复，并且已被证明可以抑制血红素合成和葡萄糖代谢。钴可能激活特定的辅助性T淋巴细胞，并直接与免疫蛋白（如抗体IgA和IgE或Fc受体）相互作用，导致免疫致敏。

Cobalt is believed to exhibit its toxicity through a oxidant-based and free radical-based processes. It produces oxygen radicals and may be oxidized to ionic cobalt, causing increased lipid peroxidation, DNA damage, and inducing certain enzymes that lead to cell apoptosis. Cobalt has also been shown to block inorganic calcium channels, possibly impairing neurotransmission. Cobalt can also chelate lipoic acids, impairing oxidation of pyruvate or fatty acids. In addition, cobalt may inhibit DNA repair by interacting with zinc finger DNA repair proteins, and has also been shown to inhibit heme synthesis and glucose metabolism. Cobalt may activate specific helper T-lymphocyte cells and interact directly with immunologic proteins, such as antibodies (IgA and IgE) or Fc receptors, resulting in immunosensitization. (L29)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 致癌性证据

...对于...醋酸钴(III)在实验动物中的致癌性，证据不足。总体评估：钴和钴化合物可能对人类有致癌性（2B组）。/钴和钴化合物/

... There is inadequate evidence for the carcinogenicity of ... cobalt(III) acetate in experimental animals. Overall Evaluation: Cobalt and cobalt compounds are possibly carcinogenic to humans (Group 2B). /Cobalt and cobalt compounds/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 致癌性证据

钴和钴化合物在人类中的致癌性证据不足。有充分证据表明钴金属粉末在实验动物中具有致癌性。有限证据显示含有钴、铬和钼的金属合金在实验动物中具有致癌性。总体评估：钴和钴化合物可能对人类具有致癌性（2B组）。/钴和钴化合物/

There is inadequate evidence for the carcinogenicity of cobalt and cobalt compounds in humans. There is sufficient evidence for the carcinogenicity of cobalt metal powder in experimental animals. There is limited evidence for the carcinogenicity of metal alloys containing cobalt, chromium and molybdenum in experimental animals. ... Overall Evaluation: Cobalt and cobalt compounds are possibly carcinogenic to humans (Group 2B). /Cobalt and cobalt compounds/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 致癌性证据

A3：已确认的动物致癌物，对人类的相关性未知。/钴和钴的无机化合物/

A3: Confirmed animal carcinogen with unknown relevance to humans. /Cobalt and inorganic compounds, as Co/

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

在大鼠中，从胃肠道（GI）的吸收率在11%到34%之间，具体取决于给药剂量。在肝脏中发现了最高的浓度，而在肾脏、胰腺和脾脏中记录到了较低的浓度。

Absorption from the GI tract in rats was found to vary between 11 and 34% depending on administered dose value. The highest concn was found in the liver, a low concn was noted in the kidney, pancreas, and spleen.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

物质可以通过吸入其气溶胶和通过摄入被吸收进人体。/四水合物（这张卡片上的建议也适用于无水醋酸钴（II）（CAS 71-48-7）。）/

The substance can be absorbed into the body by inhalation of its aerosol and by ingestion. /Tetrahydrate ("The recommendations on this Card also apply to Cobalt (II) acetate anhydrous (CAS 71-48-7).")/

来源:Hazardous Substances Data Bank (HSDB)

反应信息

• 作为反应物：
  描述：

  cobalt(II) acetate 生成 氧化钴
  参考文献：
  名称：

  KOSTIC, EMILIJA;KIS, SANDOR J.;CEROVIC, DANICA, J. SERB. CHEM. SOC., 54,(1989) N, C. 353-358

  摘要：

  DOI：
• 作为产物：
  描述：

  溶剂黄146 生成 cobalt(II) acetate
  参考文献：
  名称：

  MACHO, VENDELIN;STRESINKA, JOZEF;BAXA, JOZEF;LICHVAR, MILAN;SOLLAK, MIKUL+

  摘要：

  DOI：
• 作为试剂：
  描述：

  2-乙炔噻吩 、 苯硅烷 在 2,6-bis[1-(2,4,6-trimethylimino)ethyl]pyridine 、 cobalt(II) acetate 、 苯酚 作用下， 以 四氢呋喃 为溶剂， 反应 6.0h， 以83%的产率得到(Z)-phenyl(2-(thiophen-2-yl)vinyl)silane
  参考文献：
  名称：

  末端炔烃的钴催化Z-选择性氢化硅烷化

  摘要：

  炔的钴催化Z选择性加氢硅烷化反应是根据稳定的Co（OAc）2和吡啶2,6-二亚胺（PDI）配体生成的催化剂开发的。各种功能化的芳族和脂族炔烃都经历了这种转变，以高收率和优异的选择性（Z / E比率从90:10到> 99：1）生产Z-乙烯基硅烷。催化量的苯酚的添加有效地抑制了在催化条件下形成的Z-乙烯基硅烷的Z / E-异构化。

  DOI：

  10.1002/anie.201700868

文献信息

• CO ₂ Complexation and Activation by a Trost‐Bis(ProPhenol)Cobalt Complex
  作者：Caterina G. C. M. Netto、Henrique E. Toma

  DOI：10.1002/ejic.201301158

  日期：2013.12.2

  A binuclear cobalt complex, [Co2BPP], derived from the (R,R)-Trost-bis-ProPhenol (BPP) ligand, has been investigated as a catalyst for CO2 uptake and its electrochemical reduction. The complex exhibits labile acetate ligands that can be readily exchanged with CO2, leading to pronounced changes in its vibrational spectra, with νC=O peaks observed at 1700 and 1596 cm–1. The electrochemical reduction

  衍生自 (R,R)-Trost-bis-ProPhenol (BPP) 配体的双核钴络合物 [Co2BPP] 已被研究作为 CO2 吸收及其电化学还原的催化剂。该复合物表现出不稳定的醋酸盐配体，可以很容易地与 CO2 交换，导致其振动光谱发生显着变化，在 1700 和 1596 cm-1 处观察到 νC=O 峰。在 CO2 存在下，CoIII 中心在 –0.5 V 处的电化学还原显着增强，证明化学反应与电极过程耦合。在大多数人工系统中观察到的不是产生 CO 或 HCOOH，甲醛被确定为低于 –1.0 V 的主要产物，表明 CO2 可以通过 [Co2BPP] 电催化剂进行四电子还原。
• Recovery of acetyl values from ethylidene diacetate
  申请人：Eastman Kodak Company

  公开号：US05175362A1

  公开（公告）日：1992-12-29

  Disclosed is a process for the recovery of acetyl values from an ethylidene diacetate stream obtained from an acetic anhydride production system. The process comprises hydrolyzing ethylidene diacetate in a liquid phase, hydrolysis zone containing a non-volatile, acidic catalyst and maintained under boiling conditions to obtain a mixture of acetaldehyde, acetic acid and water and then oxidizing the mixture in a liquid phase, oxidation zone containing a cobalt oxidation catalyst to obtain a mixture of acetic acid and water. The process optionally includes a means for reducing substantially the concentration of iodine in the EDA used in the process.

  本发明揭示了一种从乙酸酐生产系统中获得的乙烯基二乙酸酯流中回收乙酰值的方法。该方法包括在液相中水解乙烯基二乙酸酯，水解区域含有非挥发性酸性催化剂并保持沸腾条件，以获得乙醛、乙酸和水的混合物，然后在液相中氧化该混合物，氧化区域含有钴氧化催化剂，以获得乙酸和水的混合物。该方法可选地包括用于大幅降低在该过程中使用的乙烯基二乙酸酯中碘浓度的手段。
• Toner, charge-imparting material and composition containing metal complex
  申请人：Canon Kabushiki Kaisha

  公开号：US04673631A1

  公开（公告）日：1987-06-16

  A triboelectrically chargeable composition for use in development of electrostatic latent images. The composition contains a metal complex of an amino acid compound having an amino or mono-substituted amino group and a carboxylic group. The composition is embodied typically as a positively chargeable toner and also as a charge-imparting material for charging a toner.

  一种用于发展静电潜影像的摩擦电荷化合物。该化合物包含一种氨基酸化合物的金属配合物，该氨基酸化合物具有氨基或单取代氨基和羧基。该组合物通常作为带正电荷的调色剂，同时也作为给调色剂充电的带电材料。
• Hydrogen peroxide and peracetic acid indicators and methods
  申请人：3M Innovative Properties Company

  公开号：US20030194346A1

  公开（公告）日：2003-10-16

  The present invention provides a hydrogen peroxide indicator and a peracetic acid indicator that include a substrate on which is disposed an indicator composition that includes at least one of a select group of colorants and a transition metal salt. As a result of exposure to hydrogen peroxide and/or peracetic acid, the colorants change color, and even become colorless, thereby providing an indication of the presence of hydrogen peroxide and/or peracetic acid.

  本发明提供了一种过氧化氢指示剂和过醋酸指示剂，其包括一个基质，该基质上设有一个指示剂组成物，该指示剂组成物包括至少一种选定的颜料和过渡金属盐。由于接触到过氧化氢和/或过醋酸，颜料会改变颜色，甚至变得无色，从而提供过氧化氢和/或过醋酸的存在指示。
• Electrosynthesis of metal carboxylates
  申请人：Huls America Inc.

  公开号：US05443698A1

  公开（公告）日：1995-08-22

  The invention relates to a method of synthesizing a metal carboxylate comprising: (a) placing an anode and a cathode in contact with an emulsion, wherein said anode includes a metal which, during electrolysis, reacts with a carboxylic acid to form a metal carboxylate, wherein the cathode comprises a material inert to the electrolytic reaction, and the emulsion comprises a carboxylic acid, an aqueous phase which includes an electrolyte, and an organic phase; and, (b) passing a current between the anode and cathode to effect an electrolytic reaction between the metal of the anode and the carboxylic acid to form the metal carboxylate.

  本发明涉及一种合成金属羧酸盐的方法，包括：(a)将阳极和阴极与乳液接触，其中所述阳极包括一种金属，该金属在电解过程中与羧酸反应形成金属羧酸盐，所述阴极包括对电解反应惰性的材料，所述乳液包括羧酸、包括电解质的水相和有机相；以及(b)在阳极和阴极之间通过电流，使得阳极的金属与羧酸发生电解反应，从而形成金属羧酸盐。