chromium oxalate | 814-90-4

• 物质功能分类: 化学试剂 - 有机试剂 - 多环化合物
• 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: chromium oxalate
• 英文别名: chromium(II) oxalate；chromium(2+);oxalate
• CAS: 814-90-4
• 化学式: C₂O₄*Cr
• 分子量: 140.016
• InChiKey: XVHFYNOGAFYRJV-UHFFFAOYSA-L

物化性质

• 密度：
  2.468 [MER06]
• 溶解度：
  微溶于H2O
• 稳定性/保质期：
  Most stable of chromous salts; not appreciably oxidized by moist air. /Hydrate/

计算性质

• 辛醇/水分配系数(LogP)：
  -3.52
• 重原子数：
  7
• 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：
  80.3
• 氢给体数：
  0
• 氢受体数：
  4

ADMET

代谢

铬通过口服、吸入或皮肤接触被吸收，并分布到几乎所有组织中，肾脏和肝脏中的浓度最高。骨骼也是一个主要的储存场所，并可能导致长期保留。六价铬与硫酸盐和铬酸盐的相似性使其能够通过硫酸盐转运机制进入细胞。在细胞内，六价铬首先被还原为五价铬，然后通过许多物质，包括抗坏血酸、谷胱甘肽和烟酸腺嘌呤二核苷酸，被还原为三价铬。铬几乎全部通过尿液排出体外。(A12, L16)

Chromium is absorbed from oral, inhalation, or dermal exposure and distributes to nearly all tissues, with the highest concentrations found in kidney and liver. Bone is also a major storage site and may contribute to long-term retention. Hexavalent chromium's similarity to sulfate and chromate allow it to be transported into cells via sulfate transport mechanisms. Inside the cell, hexavalent chromium is reduced first to pentavalent chromium, then to trivalent chromium by many substances including ascorbate, glutathione, and nicotinamide adenine dinucleotide. Chromium is almost entirely excreted with the urine. (A12, L16)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 毒性总结

识别和使用：草酸铬（II）用作分析试剂；用于从气体混合物中吸收氧气；作为脱卤素和还原剂。人类暴露和毒性：无数据。动物研究：无数据。

IDENTIFICATION AND USE: Chromium (II) oxalate is used as analytical reagent; for absorption of oxygen from gas mixtures; as dehydrohalogenating and reducing agent. HUMAN EXPOSURE AND TOXICITY: No data. ANIMAL STUDIES: No data.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 毒性总结

三价铬还可能形成与肽、蛋白质和DNA的复合物，导致DNA-蛋白质交联、DNA链断裂、DNA-DNA链间交联、铬-DNA加合物、染色体畸变和细胞信号通路的变化。研究表明，三价铬通过过度刺激细胞调节通路并激活某些丝裂原活化蛋白激酶来增加过氧化物的水平，从而诱发癌变。它还可能通过将组蛋白去乙酰化酶1-DNA甲基转移酶1复合物与CYP1A1启动子染色质交联，抑制组蛋白修饰，从而引起转录抑制。铬可能通过修饰金属调节转录因子1，导致抑制锌诱导的金属硫蛋白转录，从而增加其自身的毒性。(A12, L16, A34, A35, A36)

Trivalent chromium may also form complexes with peptides, proteins, and DNA, resulting in DNA-protein crosslinks, DNA strand breaks, DNA-DNA interstrand crosslinks, chromium-DNA adducts, chromosomal aberrations and alterations in cellular signaling pathways. It has been shown to induce carcinogenesis by overstimulating cellular regulatory pathways and increasing peroxide levels by activating certain mitogen-activated protein kinases. It can also cause transcriptional repression by cross-linking histone deacetylase 1-DNA methyltransferase 1 complexes to CYP1A1 promoter chromatin, inhibiting histone modification. Chromium may increase its own toxicity by modifying metal regulatory transcription factor 1, causing the inhibition of zinc-induced metallothionein transcription. (A12, L16, A34, A35, A36)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 致癌物分类

无致癌性迹象（未被国际癌症研究机构列名）。

No indication of carcinogenicity (not listed by IARC). (L135)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 健康影响

三价铬的毒性不高。它可能被氧化成六价铬，这是一种已知的致癌物质。六价铬还被证明会影响生殖和发育。（A12）

Chromium in its trivalent state is not very toxic. It may be oxidized to hexavalent chromium, a known carcinogen. Hexavalent chromium has also been shown to affect reproduction and development. (A12)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 暴露途径

口服（L16）；吸入（L16）；皮肤给药（L16）

Oral (L16) ; inhalation (L16) ; dermal (L16)

来源:Toxin and Toxin Target Database (T3DB)

安全信息

• 危险等级：
  6.1(b)
• 包装等级：
  III
• 危险类别：
  6.1(b)
• 危险品运输编号：
  UN 2811

反应信息

• 作为产物：
  描述：

  chromium(II) oxalate *2H2O 以 neat (no solvent) 为溶剂， 生成 chromium oxalate
  参考文献：
  名称：

  Lux, H.; Illmann, G., Chemische Berichte, 1958, vol. 91, p. 2143 - 2150

  摘要：

  DOI：

文献信息

• Static and dynamic magnetic properties and effect of surface chemistry on the morphology and crystallinity of DyCrO3 nanoplatelets
  作者：Preeti Gupta、Richa Bhargava、Raja Das、Pankaj Poddar

  DOI：10.1039/c3ra43088j

  日期：——

  In this contribution, the structural and magnetic properties of DyCrO3 nanoplatelets, synthesized by a hydrolytic sol–gel method, have been investigated. The crystalline phase of DyCrO3 was attained at the decomposition temperature of 800 °C for citric acid and oxalic acid, respectively and their structural analysis indicates a distorted orthorhombic perovskite structure of the DyCrO3 nanoplatelets. The dc-magnetization curve shows the Néel temperature of ∼144 and ∼146 K for DyCrO3 nanoplatelets synthesized using citric acid (DCO (C)) and oxalic acid (DCO (O)), respectively. In addition, DCO (O) shows weak anomalies at ∼22 and ∼6 K in the zero-field-cooled and field-cooled magnetization curves. Below the Néel temperature, DCO (C) and DCO (O) exhibit cross-over from positive to negative magnetization at ∼143 and ∼145 K, respectively. This was attributed to a Dy3+–Cr3+ interaction, which resulted in a weak ferromagnetic coupling (seen as a small opening in the M–H curves). The low temperature transition observed at ∼6 K can be assigned to the onset of Dy3+–Dy3+ antiferromagnetic interaction.

  本文研究了通过水解溶胶-凝胶法合成的 DyCrO3 纳米片的结构和磁性能。柠檬酸和草酸的分解温度分别为 800 ℃，DyCrO3 在此温度下达到结晶相，其结构分析表明 DyCrO3 纳米微粒具有畸变正交包晶结构。直流磁化曲线显示，使用柠檬酸（DCO (C)）和草酸（DCO (O)）合成的 DyCrO3 纳米微晶的奈尔温度分别为 ∼144 K 和 ∼146 K。此外，在零场冷却和场冷却磁化曲线中，DCO (O) 在 ∼22 K 和 ∼6 K 处显示出微弱的异常。在奈尔温度以下，DCO (C) 和 DCO (O) 分别在 ∼143 和 ∼145 K 时出现从正磁化到负磁化的交叉。这归因于 Dy3+-Cr3+ 的相互作用，导致了微弱的铁磁耦合（表现为 M-H 曲线上的一个小开口）。在 ∼6 K 时观察到的低温转变可归因于 Dy3+-Dy3+ 反铁磁相互作用的开始。
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Cr: MVol.B, 194, page 408 - 410
  作者：

  DOI：——

  日期：——
• Deb; Baruah; Sen Sarma, Thermochimica Acta, 1998, vol. 320, # 1-2, p. 53 - 67
  作者：Deb、Baruah、Sen Sarma、Dass

  DOI：——

  日期：——
• Mazzucchelli, A., <hi>1930</hi>, vol. 2, # 1, p. 5 - 15
  作者：Mazzucchelli, A.

  DOI：——

  日期：——
• METHOD FOR PRODUCING XYLYLENEDIAMINE
  申请人：MITSUBISHI GAS CHEMICAL COMPANY, INC.

  公开号：US20220153682A1

  公开（公告）日：2022-05-19

  A method for producing xylylenediamine, including performing a first hydrogenation including hydrogenating a mixed solution including dicyanobenzene and a solvent including liquid ammonia in a fixed-bed reactor such that a reaction product (A) is produced, performing ammonia separation including separating and removing liquid ammonia included in the reaction product (A) or a reaction product (D) such that a reaction product (B) or (E) is produced, performing solid-liquid separation including subjecting the reaction product (B) or (A) to solid-liquid separation and removing a solid component such that a reaction product (C) or the reaction product (D) is produced, and performing a second hydrogenation including hydrogenating the reaction product (C) or (E) in a fixed-bed reactor. After the first hydrogenation is performed, the ammonia separation and the solid-liquid separation are performed in this order or reverse order, followed by the second hydrogenation.