[[2,2'-[乙烯二(次氮基次甲基)]二[6-氟苯酚]]-N,N',O,O']钴 | 62207-76-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: [[2,2'-[乙烯二(次氮基次甲基)]二[6-氟苯酚]]-N,N',O,O']钴
• 英文名称: Cobalt, bis(3-fluorosalicylaldehyde)ethylenediimine-
• 英文别名: cobalt(2+);3-fluoro-2-[2-[(2-fluoro-6-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate
• CAS: 62207-76-5
• 化学式: C16H12CoF2N2O2
• 分子量: 361.21
• InChiKey: VUNNDCACJFYYFK-UHFFFAOYSA-L

物化性质

• 颜色/状态：
  Solid
• 分解：
  When heated to decomposition it emits very toxic fumes of /fluorine/ and /nitrogen oxides/.

计算性质

• 辛醇/水分配系数(LogP)：
  1.65
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  70.8
• 氢给体数：
  0
• 氢受体数：
  6

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：氟胺是一种固体，是一种钴螯合物化合物，能螯合分子氧并在加热时释放它。这一特性使其被用作高空飞行器的氧源。人类暴露和毒性：无可用数据。动物研究：氟胺在兔眼内滴入和在大鼠吸入时对眼睛和肺都有高度刺激性。将兔皮肤暴露于该化合物显示出中等刺激性，尤其是在磨损区域。豚鼠在皮内和吸入致敏后对皮内挑战显示出阳性反应。在最初的2周内确定非刺激性的粉尘浓度后，大鼠、小鼠、豚鼠和狗每天6小时，每周5天，连续6个月暴露于0.1和0.5毫克/立方米的氟胺粉尘浓度下。与对照组相比，测试大鼠的平均体重显著下降。在最高暴露水平下，粉尘对大鼠和狗的呼吸系统也有刺激性影响。

IDENTIFICATION AND USE: Fluomine, a solid, is a cobalt chelate compound which complexes molecular oxygen and releases it on heating. This property has led to its use as an oxygen source in high-altitude aircraft. HUMAN EXPOSURE AND TOXICITY: There are no data available. ANIMAL STUDIES: Fluomine was highly irritating when instilled in the eyes of rabbits and to the lungs of rats on inhalation. Exposure of rabbit skin to the compound demonstrated moderate irritancy particularly in areas of abrasion. Positive reactions to intradermal challenge were demonstrated after intradermal and inhalation sensitization of guinea pigs. After initial 2-week exposures to determine non-irritating concentrations of dust, rats, mice, guinea pigs and dogs were exposed 6 hr a day for 5 days per week for 6 months to 0.1 and 0.5 mg/cu m concentrations of fluomine dust. A statistically significant decrease in mean body weights of the test rats was observed when compared to the control group. The dust also had irritative effects on the respiratory systems of rats and dogs at the highest exposure level.

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反应过程表现出其毒性。它能产生氧自由基，并且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，从而导致细胞凋亡。�alt还被证明能阻断无机钙通道，可能影响神经递质的传递。钴还能与硫辛酸螯合，影响丙酮酸或脂肪酸的氧化。此外，钴可能通过干扰锌指DNA修复蛋白来抑制DNA修复，还显示出能抑制血红素合成和葡萄糖代谢。钴可能激活特定的辅助T淋巴细胞，并直接与免疫蛋白相互作用，如抗体（IgA和IgE）或Fc受体，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致癌性研究的充分证据和对致癌机制研究的支持数据，可以合理预期为人类致癌物。/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)

安全信息

• 危险等级：
  6.1(b)
• 包装等级：
  III
• 危险类别：
  6.1(b)