溴化氧硒 | 7789-51-7

• 分子结构分类: 无机化合物 - 均质非金属化合物 - 卤代有机物
• 中文名称: 溴化氧硒
• 英文名称: selenyl bromide
• 英文别名: seleninyl bromide
• CAS: 7789-51-7
• 化学式: Br₂OSe
• 分子量: 254.767
• InChiKey: ZWTYAOCEBBZVQQ-UHFFFAOYSA-N

物化性质

• 熔点：
  41.5-41.7°
• 沸点：
  bp740 217° (dec)
• 密度：
  d50 3.38
• 溶解度：
  与H2O反应；溶于CS2、苯

计算性质

• 辛醇/水分配系数(LogP)：
  1.19
• 重原子数：
  4
• 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：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

ADMET

代谢

硒可以通过吸入和摄入被吸收，而一些硒化合物也可能通过皮肤吸收。一旦进入人体，硒主要分布到肝脏和肾脏。硒是一种必需的微量元素，是谷胱甘肽过氧化物酶、碘甲状腺原氨酸5'-脱碘酶和硫氧还蛋白还原酶的组成部分。有机硒首先代谢成无机硒。无机硒逐步还原成中间体氢硒化物，然后转化为硒磷酸和硒半胱氨酸tRNA并整合入硒蛋白，或者转化为硒化物的甲基化代谢物后随尿液排出。元素硒在排泄前也会甲基化。硒主要通过尿液和粪便排出，但某些硒化合物也可能通过呼吸排出。溴主要通过吸入吸收，但也可以通过皮肤接触进入人体。溴盐可以摄入。由于溴的反应性，它迅速形成溴化物并可能沉积在组织中，取代其他卤素。(L626, L619)

Selenium may be absorbed through inhalation and ingestion, while some selenium compounds may also be absorbed dermally. Once in the body, selenium is distributed mainly to the liver and kidney. Selenium is an essential micronutrient and is a component of glutathione peroxidase, iodothyronine 5'-deiodinases, and thioredoxin reductase. Organic selenium is first metabolized into inorganic selenium. Inorganic selenium is reduced stepwise to the intermediate hydrogen selenide, which is either incorporated into selenoproteins after being transformed to selenophosphate and selenocysteinyl tRNA or excreted into the urine after being transformed into methylated metabolites of selenide. Elemental selenium is also methylated before excretion. Selenium is primarily eliminated in the urine and feces, but certain selenium compounds may also be exhaled. Bromine is mainly absorbed via inhalation, but may also enter the body through dermal contact. Bromine salts can be ingested. Due to its reactivity, bromine quickly forms bromide and may be deposited in the tissues, displacing other halogens. (L626, L619)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 毒性总结

硒可以轻易地在生物分子中替代硫，并在许多生化反应中替代硫，特别是在硒的浓度高而硫的浓度低时。通过影响线粒体和微粒体的电子传输，使细胞呼吸中氧化反应所需的巯基酶失活，这可能是急性硒中毒的一个原因。硒代甲硫氨酸（一种常见的有机硒化合物）似乎也可以随机地替代蛋白质合成中的甲硫氨酸。这种替代可能会影响蛋白质的结构和功能性，例如，通过改变二硫键。无机形态的硒似乎通过氧化还原催化与组织巯基反应，导致活性氧种类的形成并通过氧化应激造成损害。溴是一种强氧化剂，能够从粘膜的水分中释放氧自由基。这些自由基也是强大的氧化剂，能产生组织损伤。此外，氢溴酸和溴酸的形成将导致二次刺激。溴离子也被知道会影响中枢神经系统，导致溴中毒。这被认为是溴离子替代神经递质和传输系统中的氯离子的结果，从而影响许多突触过程。（L626, L627, A543, L619）

Selenium readily substitutes for sulfur in biomolecules and in many biochemical reactions, especially when the concentration of selenium is high and the concentration of sulfur is low. Inactivation of the sulfhydryl enzymes necessary for oxidative reactions in cellular respiration, through effects on mitochondrial and microsomal electron transport, might contribute to acute selenium toxicity. Selenomethionine (a common organic selenium compound) also appears to randomly substitute for methionine in protein synthesis. This substitution may affect the structure and functionability of the protein, for example, by altering disulfide bridges. Inorganic forms of selenium appear to react with tissue thiols by redox catalysis, resulting in formation of reactive oxygen species and causing damage by oxidative stress. Bromine is a powerful oxidizing agent and is able to release oxygen free radicals from the water in mucous membranes. These free radicals are also potent oxidizers and produce tissue damage. In additon, the formation of hydrobromic and bromic acids will result in secondary irritation. The bromide ion is also known to affect the central nervous system, causing bromism. This is believed to be a result of bromide ions substituting for chloride ions in the in actions of neurotransmitters and transport systems, thus affecting numerous synaptic processes. (L626, L627, A543, L619)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 致癌物分类

3, 其对人类致癌性无法分类。

3, not classifiable as to its carcinogenicity to humans. (L135)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 健康影响

长期口服高浓度硒化合物可导致一种称为硒中毒的疾病。硒中毒的主要症状包括脱发、指甲变脆和神经系统异常（如在四肢感到麻木和其他奇怪的感觉）。动物研究显示，硒还可能影响精子生产和女性生殖周期。溴蒸汽会引起刺激和对粘膜的直接损伤。元素溴也会烧伤皮肤。溴化物离子是一种中枢神经系统抑制剂，长期暴露会产生神经细胞效应。这被称为溴中毒，可能导致从中枢反应到昏迷、消瘦、昏迷、反射丧失或病理反射、阵挛性发作、震颤、共济失调、神经敏感性丧失、瘫痪、眼乳头水肿、言语异常、脑水肿、谵妄、攻击性和精神病的症状。

Chronic oral exposure to high concentrations of selenium compounds can produce a disease called selenosis. The major signs of selenosis are hair loss, nail brittleness, and neurological abnormalities (such as numbness and other odd sensations in the extremities). Animal studies have shown that selenium may also affect sperm production and the female reproductive cycle. Bromine vapour causes irritation and direct damage to the mucous membranes. Elemental bromine also burns the skin. The bromide ion is a central nervous system depressant and chronic exposure produces neuronal effects. This is called bromism and can result in central reactions reaching from somnolence to coma, cachexia, exicosis, loss of reflexes or pathologic reflexes, clonic seizures, tremor, ataxia, loss of neural sensitivity, paresis, papillar edema of the eyes, abnormal speech, cerebral edema, delirium, aggressiveness, and psychoses. (L625, L626, L627, L619)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 暴露途径

口服（L626）；吸入（L626）；皮肤给药（L626）

Oral (L626) ; inhalation (L626) ; dermal (L626)

来源:Toxin and Toxin Target Database (T3DB)

毒理性

• 症状

短期内口暴露于高浓度的硒可能会导致恶心、呕吐和腹泻。短暂接触空气中的元素硒或二氧化硒的高水平可能会引起呼吸道刺激、支气管炎、呼吸困难以及胃痛。长期暴露于这两种空气传播形式可能会导致呼吸道刺激、支气管痉挛和咳嗽。溴蒸气会引起刺激和直接损伤粘膜。症状包括流泪、流鼻涕、眼部刺激伴咽喉和上呼吸道的粘液分泌、咳嗽、呼吸困难、窒息、喘息、鼻出血和头痛。溴离子是一种中枢神经系统抑制剂，会引起共济失调、言语不清、震颤、恶心、呕吐、乏力、眩晕、视觉障碍、不稳、头痛、记忆力和注意力减退、定向障碍和幻觉。这被称为溴中毒。

Short-term oral exposure to high concentrations of selenium may cause nausea, vomiting, and diarrhea. Brief exposures to high levels of elemental selenium or selenium dioxide in air can result in respiratory tract irritation, bronchitis, difficulty breathing, and stomach pains. Longer-term exposure to either of these air-borne forms can cause respiratory irritation, bronchial spasms, and coughing. Bromine vapour causes irritation and direct damage to the mucous membranes. Symptoms include lacrimation, rhinorrhoea, eye irritation with mucous secretions from the oropharyngeal and upper airways, coughing, dyspnoea, choking, wheezing, epistaxis, and headache. The bromide ion is a central nervous system depressant producing ataxia, slurred speech, tremor, nausea, vomiting, lethargy, dizziness, visual disturbances, unsteadiness, headaches, impaired memory and concentration, disorientation and hallucinations. This is called bromism. (L626, L627, L619)

来源:Toxin and Toxin Target Database (T3DB)

安全信息

• 危险等级：
  8

制备方法与用途

生产方法

制法 溴与硒反应生成四溴化硒，随后四溴化硒与二氧化硒反应生成溴化氧硒： [ \text{Se} + 2\text{Br}_2 = \text{SeBr}_4 ] [ \text{SeO}_2 + \text{SeBr}_4 = \text{SeOBr}_2 ]

反应瓶采用装有滴液漏斗和气体导出管的圆底烧瓶，气体导出管与一装有刚灼烧过的纯溴化钙的干燥管相连，以隔绝湿气。将经过升华提纯的二氧化硒及等量的纯粉末状硒加入到反应瓶中，并将其置于冰盐冷剂中冷却至接近0℃。反应所需的纯溴从滴液漏斗中缓缓加入，开始时应较慢，随后逐渐加快，直至所有剩余的少量溴全部加入为止。

硒首先被溴化生成Se₂Br₂，然后进一步被溴化为SeBr₄，这个过程放热较多。当所需的所有溴都加入后，缓慢提升反应体系的温度，直到二氧化硒完全溶解并生成SeOBr₂。使用细粉末状二氧化硒时，这一过程较快完成；若二氧化硒结晶较大，则可能需要几小时才能完成。

反应信息

• 作为反应物：
  描述：

  溴化氧硒 以 not given 为溶剂， 生成 氧氯化硒
  参考文献：
  名称：

  Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Se: MVol.B, 71, page 153 - 156

  摘要：

  DOI：
• 作为产物：
  描述：

  以 neat (no solvent) 为溶剂， 生成 溴化氧硒
  参考文献：
  名称：

  Muehlberger, C. W.; Lenher, V., Journal of the American Chemical Society, 1925, vol. 47, p. 1843 - 1843

  摘要：

  DOI：
• 作为试剂：
  描述：

  三苯胂氧化物 在 溴化氧硒 、 氢溴酸 作用下， 以 乙腈 为溶剂， 反应 12.0h， 生成
  参考文献：
  名称：

  Krebs, Bernt; Schaeffer, Andreas; Hucke, Marita, Zeitschrift fur Naturforschung, Teil B: Anorganische Chemie, Organische Chemie, 1982, vol. 37, # 11, p. 1410 - 1417

  摘要：

  DOI：

文献信息

• Lenher, V., Journal of the American Chemical Society, 1922, vol. 44, p. 1669 - 1669
  作者：Lenher, V.

  DOI：——

  日期：——
• Lenher, V., Journal of the American Chemical Society, 1922, vol. 44, p. 1668 - 1668
  作者：Lenher, V.

  DOI：——

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: S: MVol.A3, 5.3.1, page 699 - 705
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• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Se: MVol.B, 63, page 140 - 142
  作者：

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  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Se: MVol.B, 49, page 108 - 111
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  日期：——