柠檬酸钴 | 866-81-9

• 物质功能分类: 有机原料 - 有机金属盐
• 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
• 中文名称: 柠檬酸钴
• 英文名称: Cobaltous citrate
• 英文别名: cobalt(2+);2-hydroxypropane-1,2,3-tricarboxylate
• CAS: 866-81-9
• 化学式: C12H10Co3O14
• 分子量: 555.0
• InChiKey: IEXXNGVQCLMTKU-UHFFFAOYSA-H

物化性质

• 熔点：
  150°C (dec.)
• 密度：
  2.02g/cm3 at 20℃
• 气味：
  Odorless
• 溶解度：
  In water, 27.67 g/L at 20 deg and pH 6.6
• 解离常数：
  2.02 g/cu cm at 20 °C

计算性质

• 辛醇/水分配系数(LogP)：
  -10.51
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  281
• 氢给体数：
  2
• 氢受体数：
  14

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多数组织中。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：柠檬酸钴是玫瑰红色的无定形粉末。它用于维生素制剂和治疗剂。人类接触和毒性：没有数据可用。动物研究：家兔在注射100毫克柠檬酸钴（含20%钴）后存活。

IDENTIFICATION AND USE: Cobalt citrate is rose-red, amorphous powder. it is used in vitamin preparations and therapeutic agents. HUMAN EXPOSURE AND TOXICITY: There are no data available. ANIMAL STUDIES: Rabbits survived injections of 100 mg of cobalt citrate (20% cobalt).

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

钴和钴化合物在人类中的致癌性证据不足。有充分的证据表明钴金属粉末在实验动物中具有致癌性。有限证据表明含有钴、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)

毒理性

• 致癌性证据

钴和释放钴离子的钴化合物根据实验动物研究中充分的致癌性证据以及对致癌机制研究的支持数据，可以合理地预期为人类致癌物。/钴和钴化合物/

Cobalt and cobalt compounds that release cobalt ions in vivo are reasonably anticipated to be human carcinogens based on sufficient evidence of carcinogenicity from studies in experimental animals and supporting data from studies on mechanisms of carcinogenesis. /Cobalt and cobalt compounds/

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

钴以柠檬酸形式注入兔子后消除速度更快；24小时内分别消除了10毫克和13毫克总剂量的50%和65%。

Cobalt injected in rabbits as the citrate is more rapidly eliminated; 50 and 65% urinary elimination of the total dose of 10 and 13 mg, respectively, was eliminated in 24 hr.

来源:Hazardous Substances Data Bank (HSDB)

安全信息

• 安全说明：
  S22
• 危险类别码：
  R20/21/22

制备方法与用途

用途

柠檬酸钴为粉红色粉末状，适用于高级化学镀钴。

添加柠檬酸钴能有效促进TPU复合材料的膨胀成炭，使其炭层高度明显增加且更加致密和连续。虽然柠檬酸钴降低了TPU复合材料的初始分解温度和最大热降解速率对应的温度，但显著提高了其残炭率。

制备方法

将0.03 mol乙酸钴溶解于80 mL去离子水中，0.036 mol 柠檬酸溶解于20 mL去离子水中。缓慢将乙酸钴溶液加入柠檬酸溶液中。所得红色溶液在70 ℃水浴中老化，直至出现紫色溶胶。产品在80 ℃的真空烘箱中干燥过夜，最终得到浅紫色柠檬酸钴粉末。