砷酸亚铁 | 10102-50-8

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 过渡金属氧阴离子化合物
• 中文名称: 砷酸亚铁
• 英文名称: iron(2+);diarsorate
• 英文别名: Ferrous arsenate
• CAS: 10102-50-8
• 化学式: As₂Fe₃O₈
• 分子量: 445.37
• InChiKey: PRDPGWOYQAUJJB-UHFFFAOYSA-H

物化性质

• 熔点：
  decomposes [CRC10]
• 溶解度：
  不溶于水
• 物理描述：
  Ferrous arsenate is a green powder. It is insoluble in water. It is toxic by ingestion. It is used in insecticides.
• 颜色/状态：
  A green powder
• 分解：
  When heated to decomposition it emits toxic fumes of /arsenic/. /SRP: including arsine/

计算性质

• 辛醇/水分配系数(LogP)：
  -8.14
• 重原子数：
  13
• 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：
  173
• 氢给体数：
  0
• 氢受体数：
  8

ADMET

代谢

砷主要通过吸入或摄入进入人体，其次是皮肤接触。进入人体后，砷会在全身分布，根据需要被还原成亚砷酸盐，然后通过亚砷酸盐甲基转移酶被甲基化成单甲基砷（MMA）和二甲基硅酸（DMA）。砷及其代谢物主要通过尿液排出体外。已知砷能诱导金属结合蛋白金属硫蛋白，通过绑定砷和其他金属并使其生物活性失效，以及作为抗氧化剂的作用，从而减少砷和其他金属的毒性效应。

Arsenic is absorbed mainly by inhalation or ingestion, as to a lesser extent, dermal exposure. It is then distributed throughout the body, where it is reduced into arsenite if necessary, then methylated into monomethylarsenic (MMA) and dimethylarsenic acid (DMA) by arsenite methyltransferase. Arsenic and its metabolites are primarily excreted in the urine. Arsenic is known to induce the metal-binding protein metallothionein, which decreases the toxic effects of arsenic and other metals by binding them and making them biologically inactive, as well as acting as an antioxidant. (L20)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 毒性总结

砷及其代谢物通过多种机制干扰ATP的产生。在柠檬酸循环层面，砷抑制了丙酮酸脱氢酶，并通过与磷酸竞争，解偶联氧化磷酸化，从而抑制了与能量相关的NAD+的还原、线粒体呼吸和ATP的合成。过氧化氢的产生也增加了，这可能会形成活性氧物种和氧化应激。砷的致癌性受到砷与微管蛋白结合的影响，导致非整倍体、多倍体和有丝分裂停滞。其他砷蛋白靶点的结合也可能导致DNA修复酶活性改变、DNA甲基化模式改变和细胞增殖。

Arsenic and its metabolites disrupt ATP production through several mechanisms. At the level of the citric acid cycle, arsenic inhibits pyruvate dehydrogenase and by competing with phosphate it uncouples oxidative phosphorylation, thus inhibiting energy-linked reduction of NAD+, mitochondrial respiration, and ATP synthesis. Hydrogen peroxide production is also increased, which might form reactive oxygen species and oxidative stress. Arsenic's carginogenicity is influenced by the arsenical binding of tubulin, which results in aneuploidy, polyploidy and mitotic arrests. The binding of other arsenic protein targets may also cause altered DNA repair enzyme activity, altered DNA methylation patterns and cell proliferation. (T1, A17)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 致癌性证据

致癌性分类：1) 人类证据：充分；2) 动物证据：有限。对人类致癌风险的整体总结评估为第1组：对人类致癌。注意：此评估适用于整个化学物质组，而不一定适用于组内所有单个化学物质。/砷和砷化合物/

Classification of carcinogenicity: 1) evidence in humans: sufficient; 2) evidence in animals: limited. Overall summary evaluation of carcinogenic risk to humans is Group 1: Carcinogenic to humans. NOTE: This evaluation applies to the group of chemicals as a whole and not necessarily to all individual chemicals within the group. /Arsenic and arsenic compounds/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 致癌性证据

分类：A；人类致癌物。分类依据：基于足够的人类数据。在主要通过吸入暴露的多个人类群体中观察到了肺癌死亡率的增加。此外，在饮用富含无机砷的饮用水的人群中，观察到多种内部器官癌症（肝脏、肾脏、肺和膀胱）的死亡率增加，以及皮肤癌发病率的增加。人类致癌性数据：充足。动物致癌性数据：不足。/无机砷/ /基于先前的分类系统/

CLASSIFICATION: A; human carcinogen. BASIS FOR CLASSIFICATION: Based on sufficient evidence from human data. An increased lung cancer mortality was observed in multiple human populations exposed primarily through inhalation. Also, increased mortality from multiple internal organ cancers (liver, kidney, lung, and bladder) and an increased incidence of skin cancer were observed in populations consuming drinking water high in inorganic arsenic. HUMAN CARCINOGENICITY DATA: Sufficient. ANIMAL CARCINOGENICITY DATA: Inadequate. /Inorganic Arsenic/ /based on former classification system/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 致癌性证据

A1：已确认的人类致癌物。/砷和无机砷化合物，如As/

A1: Confirmed human carcinogen. /Arsenic and inorganic compounds, as As/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 致癌物分类

1, 对人类致癌。

1, carcinogenic to humans. (L135)

来源:Toxin and Toxin Target Database (T3DB)

安全信息

• 危险等级：
  6.1(a)
• 危险品运输编号：
  UN 1608
• 海关编码：
  2842909021
• 包装等级：
  II
• 危险类别：
  6.1(a)
• 储存条件：
  库房应保持通风、低温和干燥，并与食品分开储存和运输。

制备方法与用途

类别：有毒物品

毒性分级：剧毒

可燃性危险特性：不燃

储运特性：

• 库房通风、低温干燥
• 与食品分开储存和运输

灭火剂：

• 雾状水
• 砂土

职业标准：

• 时间加权平均容许浓度（TLV-TWA）：0.2 毫克/立方米（砷）
• 短时间暴露限值（STEL）：0.6 毫克/立方米（砷）

反应信息

• 作为产物：
  描述：

  L-(+)-酒石酸二异丙酯 、 丁酮 在 phosphorus pentoxide 作用下， 生成 砷酸亚铁
  参考文献：
  名称：

  Synthesis of Cyclic Derivatives of Tartaric Acid by Condensing Alkyld-Tartrates with Aliphatic Ketones. (Optical Activity and Chemical Structure in Tartaric Acid. V)

  摘要：

  DOI：

  10.1246/bcsj.14.19

文献信息

• Synthesis of Cyclic Derivatives of Tartaric Acid by Condensing Alkyl<i>d</i>-Tartrates with Aliphatic Ketones. (Optical Activity and Chemical Structure in Tartaric Acid. V)
  作者：Yojiro Tsuzuki

  DOI：10.1246/bcsj.14.19

  日期：1939.1