双氧水 | 12325-10-9

• 分子结构分类: 无机化合物 - 均质非金属化合物 - 均质其他非金属化合物
• 中文名称: 双氧水
• 中文别名: 过氧化氢
• 英文名称: dihydrogen peroxide
• 英文别名: hydrogen peroxide；H₂O₂；aqueous hydrogen peroxide；Hydrogen peroxide (30%)
• CAS: 12325-10-9；7722-84-1
• 化学式: H₂O₂
• 分子量: 34.0147
• InChiKey: MHAJPDPJQMAIIY-UHFFFAOYSA-N

物化性质

• 熔点：
  -0.43 °C
• 沸点：
  152 °C
• 密度：
  1.4425 g/cm3(Temp: 25 °C)
• 物理描述：
  Colorless liquid with a slightly sharp odor. [Note: The pure compound is a crystalline solid below 12°F. Often used in an aqueous solution.]
• 颜色/状态：
  Colorless liquid
• 气味：
  ... Slightly sharp odor ...
• 味道：
  Bitter
• 溶解度：
  In water, 1X10+6 mgL at 25 °C
• 蒸汽密度：
  1.02 calculated (EPA, 1998) (Relative to Air)
• 蒸汽压力：
  1.97 mm Hg at 25 °C
• 稳定性/保质期：
  Stable under recommended storage conditions. /Hydrogen peroxide solution (>/= 30% to <50%)/
• 自燃温度：
  Not flammable. (USCG, 1999)
• 分解：
  Decomposition continuously occurs even at a slow rate when the compound is inhibited, and thus it must be stored properly and in vented containers. High-strength hydrogen peroxide is a very high-energy material. When it decomposes to oxygen and water, large amounts of heat are liberated, leading to an increased rate of decomposition, since decomposition is accelerated by increases in temperature. This rate increases about 2.2 times per 10 °C temperature increase between 20 and 100 °C.
• 粘度：
  1.819 cP at 0 °C; 1.249 cP at 20 °C
• 腐蚀性：
  Corrosive
• 汽化热：
  1519 J-g/K at 25 °C
• 表面张力：
  80.4 dynes/cm at 20 °C
• 电离电位：
  10.54 eV
• 折光率：
  Index of refraction: 1.4061 at 28 °C
• 解离常数：
  pKa = 11.62

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  2
• 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：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

ADMET

代谢

过氧化氢被谷胱甘肽过氧化物酶还原，这是一种人体组织中的内源性酶。当它与血液和大多数组织中发现的过氧化酶接触时，会迅速分解成氧气和水。

Hydrogen peroxide is reduced by glutathione peroxidase, which is an endogenous enzyme in human tissue. It is rapidly decomposed to oxygen and water when in contact with catalase, an enzyme found in blood and most tissues.

来源:DrugBank

毒理性

• 毒性总结

识别和使用：过氧化氢是一种无色液体。它是一种氧化剂，在有机物存在的情况下或允许其变为碱性时，会剧烈分解为氧气和水。过氧化氢以6%的溶液用于漂白头发，一些隐形眼镜消毒溶液含有3%的过氧化氢。无氯漂白剂含有6%的过氧化氢。一些较新的织物去渍剂和漂白剂含有5%至15%的过氧化氢。工业强度的过氧化氢可制造至90%。它们主要用作漂白和氧化剂。90%的溶液用作火箭燃料。 人体研究：过氧化氢的分解是一个剧烈和放热的反应。摄入会导致胃肠道刺激，其严重程度取决于溶液的浓度。还存在气栓的风险。文献中报道了一些死亡案例。在大多数情况下，暴露于30%至40%的浓缩溶液中。其他反应包括呕吐（由于氧气的释放，呕吐物可能呈泡沫状）、呕血、喉咙灼烧和由于氧气的释放导致的胃扩张。还报告了倦怠、昏迷、惊厥、休克和呼吸暂停。可能发生胃肠道出血和胃及十二指肠烧伤。在严重情况下，由于心脏栓塞限制血液流动，可能会观察到缺血性心电图变化和电机械解离（EMD）。过氧化氢对皮肤有刺激性，会导致感觉异常、水疱和白化；大于10%的溶液可能引起烧伤。过氧化氢对眼睛有刺激性，有灼热感、结膜充血、流泪和严重疼痛，这些症状在几小时内会缓解。罕见情况下，将3%溶液应用于隐形眼镜的眼睛会导致暂时性角膜损伤，包括角膜点状染色、视力下降、角膜混浊和水肿。一位84岁男性因大脑血管气栓而报告了脑梗死。一位63岁老人摄入过氧化氢后发生了多个脑栓塞。研究了人类细胞经 过氧化氢处理后DNA链断裂和染色体畸变。在远低于诱导染色体畸变的过氧化氢剂量水平下，就可以产生DNA链断裂。 动物研究：将0.5毫升5%过氧化氢注入成年小鼠后，观察到类似辐射的效果；在2小时内，肠道和胸腺中诱导了固缩核，并持续了长达24小时。在死于静脉注射过氧化氢的兔子和猫中，发现肺苍白且气肿，大静脉和心脏右侧有大量气体。在兔眼上滴一滴10至30%的过氧化氢会导致角膜浅层混浊，如果上皮有缺陷，可能导致角膜基质局部肿胀和混浊。此外，5%的溶液也会导致角膜浅层混浊和大量结膜反应，但这些效果在24小时内消失。过氧化氢对鼠伤寒沙门氏菌TA92和TA102具有诱变性，在鼠伤寒沙门氏菌SV50的前向突变试验中呈阳性。在pH为中性的水溶液中，过氧化氢与T7 DNA一起孵化时，会在T7 DNA上产生单链断裂。过氧化氢在非洲爪蟾发育胚胎中不具有致畸性。

IDENTIFICATION AND USE: Hydrogen peroxide is a colorless liquid. It is an oxidizing agent which, in the presence of organic matter or if permitted to become alkaline, vigorously decomposes to oxygen and water. Hydrogen peroxide is used as a 6% solution for bleaching hair, and some disinfectant solutions for contact lenses contain a 3% hydrogen peroxide. Chlorine-free bleaches contain 6% hydrogen peroxide. Some newer fabric stain removers and bleaches contain 5% to 15% hydrogen peroxide. Industrial strengths of hydrogen peroxide are manufactured up to 90%. They are used mainly as bleaching and oxidizing agents. Solutions of 90% are used as rocket fuel. HUMAN STUDIES: The dissociation of hydrogen peroxide is a violent and exothermic reaction. Ingestion results in gastrointestinal irritation, the severity of which depends on the concentration of the solution. There is also a risk for a gas embolism. A number of deaths have been reported in the literature. In most cases the exposures were to concentrated solutions of 30% to 40%. Other reactions include vomiting (the vomitus may be frothy due to the liberation of oxygen), hematemesis, burning of the throat, and gastric distension due to the release of oxygen. Lethargy, coma, convulsions, shock and respiratory arrest have also been reported. Gastrointestinal bleeding and burns to the stomach and duodenum may occur. In severe cases ischemic ECG changes and EMD (electromechanical dissociation) may be observed because of embolization of the heart restricting blood flow. Hydrogen peroxide is an irritant to the skin with paraesthesia, blistering and whitening; solutions >10% may cause burns. Hydrogen peroxide is irritating to the eyes with a burning sensation, conjunctival hyperemia, lacrimation, and severe pain which resolves within a few hours. There are rare cases of temporary corneal injury resulting from the application of 3% solution to the eye on contact lenses including punctuate staining of the cornea, decreased vision, corneal opacity and edema. Cerebral infarction resulting from gas embolization of the cerebral vasculature has been reported in an 84-year-old man. Multiple brain embolisms occurred in a 63-year-old who ingested hydrogen peroxide. DNA strand breaks and chromosomal aberrations were studied in human cells treated with hydrogen peroxide. DNA strand breaks could be produced at dose levels of hydrogen peroxide much lower than those which induced chromosomal aberrations. ANIMAL STUDIES: After ip injection of 0.5 mL of 5% hydrogen peroxide into adult mice, a radiation-like effect was observed; pyknotic nuclei were induced in the intestine and thymus within 2 hr and persisted for up to 24 hr. In rabbits and cats that died after iv administration of hydrogen peroxide, the lungs were found to be pale and emphysematous, with considerable amounts of gas in the great veins and in the right side of the heart. Application of a drop of 10 to 30% to rabbit's eye caused superficial corneal haze, and, if there were defects in the epithelium, could cause localized swelling and opacities in the corneal stroma. Also, 5% solution caused superficial corneal haze and much conjunctival reaction, but these effects were gone in 24 hr. Hydrogen peroxide was mutagenic to Salmonella typhimurium TA92 and TA102 and was positive in a forward mutation test in Salmonella typhimurium SV50. Single strand scissions were produced in T7 DNA upon incubation with hydrogen peroxide in aqueous solution at neutral pH. ECOTOXICITY STUDIES: Hydrogen peroxide was not teratogenic in Xenopus developing embryos.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 致癌性证据

评估：对于双氧水在人类中的致癌性，证据不足。在实验动物中，双氧水的致癌性证据有限。总体评估：双氧水的对人致癌性无法分类（第3组）。

Evaluation: There is inadequate evidence in humans for the carcinogenicity of hydrogen peroxide. There is limited evidence in experimental animals for the carcinogenicity of hydrogen peroxide. Overall evaluation: Hydrogen peroxide is not classifiable as to its carcinogenicity to humans (Group 3).

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 致癌性证据

3A. 对动物已确认的致癌物，对人类的相关性未知。

A3. Confirmed animal carcinogen with unknown relevance to humans.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 致癌物分类

国际癌症研究机构致癌物：过氧化氢

IARC Carcinogenic Agent:Hydrogen peroxide

来源:International Agency for Research on Cancer (IARC)

毒理性

• 致癌物分类

国际癌症研究机构（IARC）致癌物分类：第3组：对其对人类的致癌性无法分类

IARC Carcinogenic Classes:Group 3: Not classifiable as to its carcinogenicity to humans

来源:International Agency for Research on Cancer (IARC)

吸收、分配和排泄

• 吸收

据报道，过氧化氢在吸收进入小肠前就已经分解了。涂抹在组织上的过氧化氢溶液渗透性较差。

It is reported that hydrogen peroxide is decomposed before absorption in the intestine. Solutions of hydrogen peroxide displays poor penetration when applied to tissue.

来源:DrugBank

吸收、分配和排泄

• 分布容积

过氧化氢影响的靶器官包括肺、肠、胸腺、肝和肾。

Target organs affected by hydrogen peroxide include the lungs, intestine, thymus, liver, and kidney.

来源:DrugBank

吸收、分配和排泄

这项体内研究确定了3%过氧化氢在美白凝胶中前一个小时的动力学。本研究使用的材料是3%过氧化氢凝胶，研究涉及了符合纳入和排除标准的10名受试者。每位受试者在不同的日子上分别六次戴上带有凝胶的托盘。通过美国药典中声明的方法计算剩余过氧化氢的量。研究结果表明，5、10、20、30、45和60分钟后回收的过氧化氢平均百分比分别为61、56、49、44、38和32。一小时后唾液中过氧化氢的量为0.42毫克。排除最初的10分钟，托盘和牙齿样本中过氧化氢的动力学是指数型的。

This in vivo study determined the kinetics of 3% hydrogen peroxide in a bleaching gel within the first hour. The material used in this study was 3% hydrogen peroxide gel and the study involved 10 subjects who met the inclusion and exclusion criteria. Each subject wore the tray with gel six different times on separate days. Evaluation of the remaining amount of hydrogen peroxide was calculated by the method stated in US Pharmacopoeia. The study results indicate that the mean percentage of hydrogen peroxide recovered for 5, 10, 20, 30, 45 and 60 minutes was 61, 56, 49, 44, 38 and 32, respectively. The amount of hydrogen peroxide in the saliva sample after one hour was 0.42 mg. Excluding the first 10 minutes, the kinetics of hydrogen peroxide in the tray and teeth sample was exponential.

来源:Hazardous Substances Data Bank (HSDB)

安全信息

• 危险等级：
  5.1

上下游信息

• 下游产品

  中文名称	英文名称	CAS号	化学式	分子量
  ——	hydrogen (18)O-peroxide	32767-18-3	H2O2	38.0159
  ——	oxywater	171363-09-0	H2O2	34.0147

反应信息

• 作为反应物：
  描述：

  双氧水 在 HCl 作用下， 以 水 为溶剂， 生成 氯
  参考文献：
  名称：

  Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Cl: MVol., 60, page 173 - 174

  摘要：

  DOI：
• 作为产物：
  描述：

  氟他胺 在 adrenodoxin 、 adrenodoxin reductase 、 cytochrome P-450 reductase 、 NAD(P)H-quinone oxidoreductase 、 还原型辅酶II(NADPH)四钠盐 作用下， 以 aq. phosphate buffer 为溶剂， 生成 双氧水
  参考文献：
  名称：

  5黄素酶催化的硝基芳族抗雄激素单电子还原：对其细胞毒性的影响

  摘要：

  摘要 硝基芳族抗雄激素尼鲁他胺和氟他胺的治疗作用可能因其细胞毒性而复杂化，其机制仍不清楚。这尤其涉及氟他胺及其代谢物的酶促氧化还原循环，及其对细胞毒性的影响。在这项工作中，我们检查了尼鲁他胺、氟他胺、其代谢物 2-羟基氟他胺和 4-硝基-3-三氟甲基-苯胺以及局部抗雄激素（3-氨基-2-羟基-2-甲基-N -（4-硝基-3-三氟甲基）-苯基）丙酰胺通过 NADPH：细胞色素 P-450 还原酶和肾上腺素氧还蛋白还原酶/肾上腺素氧还蛋白。得到的氧化剂还原稳态双分子速率常数（k cat / K m) 能够建立化合物的单电子还原中点电位 ( E 1 7 )，-0.377 – -0.413 V，这与其自由基的形成焓一致，通过量子力学计算获得。使用鼠肝癌MH22a细胞，基于模型硝基芳族化合物的数据获得的细胞毒性与E 1 7相关性表明氧化还原循环和氧化应激可能是硝基芳族抗雄激素的细胞毒性的主要因素。其

  DOI：

  10.1080/10715762.2021.1919304
• 作为试剂：
  描述：

  2-吡啶甲酰肼 在 双氧水 、 溶剂黄146 、 sodium hydroxide 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 反应 25.5h， 生成 2-(4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)pyridine
  参考文献：
  名称：

  3,4,5-三取代三唑类药物作为 G 蛋白偏向 κ 阿片受体激动剂的合成和评价

  摘要：

  Kappa 阿片受体 （KOR） 激动剂代表了有前途的缓解疼痛的疗法，因为它们具有镇痛特性，并且比作用于 mu 阿片受体的阿片类药物滥用可能性更低。然而，典型的 KOR 激动剂会产生镇静和烦躁。先前的研究表明，G 蛋白信号偏倚的 KOR 激动剂可能提供了一种将所需的镇痛特性与不需要的副作用分开的方法。在本文中，我们报道了一系列新的 G 蛋白信号偏倚的 KOR 激动剂，这些激动剂需要 –S– → –CH2– 替代先前报道的 KOR 激动剂三唑 1.1。有了优化的碳连接剂，对支架进行了进一步的开发，以研究三唑核心的附属物。描述了该系列的结构-活性关系研究，包括几种类似物，与三唑 1.1 相比，它们在保持 G 蛋白信号转导偏差的同时显示出增强的效力。

  DOI：

  10.1016/j.ejmech.2024.116627

文献信息

• Mercapto-acylamino acid antihypertensives
  申请人：Schering Corporation

  公开号：US05061710A1

  公开（公告）日：1991-10-29

  Novel mercapto-acylamino acids useful in the treatment of hypertension and combinations of mercapto-acylamino acids and atrial natriuretic factors or angiotensin converting enzyme inhibitors useful for treating hypertension are disclosed.

  新型巯基-酰胺基酸在治疗高血压方面很有用，公开了巯基-酰胺基酸和心房利钠因子或抑制血管紧张素转化酶的组合物，用于治疗高血压。
• [EN] TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE<br/>[FR] COMPOSÉS TRICYCLIQUES INHIBITEURS DE PI3K ET PROCÉDÉS D'UTILISATION
  申请人：HOFFMANN LA ROCHE

  公开号：WO2012082997A1

  公开（公告）日：2012-06-21

  Tricyclic PI3k inhibitor compounds of Formula I with anti-cancer activity, anti- inflammatory activity, or immunoregulatory properties, and more specifically with PI3 kinase modulating or inhibitory activity are described. Methods are described for using the tricyclic PI3K inhibitor compounds of Formula I for in vitro, in situ, and in vivo diagnosis or treatment of mammalian cells, organisms, or associated pathological conditions. Formula I compounds include stereoisomers, geometric isomers, tautomers, and pharmaceutically acceptable salts thereof. The dashed lines indicate an optional double bond, and at least one dashed line is a double bond. The substituents are as described.

  具有抗癌活性、抗炎活性或免疫调节特性的Formula I的三环PI3K抑制剂化合物被描述。描述了使用Formula I的三环PI3K抑制剂化合物进行体外、原位和体内诊断或治疗哺乳动物细胞、生物体或相关病理条件的方法。Formula I化合物包括立体异构体、几何异构体、互变异构体和其药用可接受盐。虚线表示可选的双键，至少有一条虚线是双键。取代基如所述。
• Synthesis of a Hybrid between SOD Mimetic and Ebselen to Target Oxidative Stress
  作者：Nicole Orth、Andreas Scheitler、Verena Josef、Alicja Franke、Achim Zahl、Ivana Ivanović‐Burmazović

  DOI：10.1002/ejic.201900407

  日期：2019.7.14

  harmful ROS, hydrogen peroxide, which can be depleted through peroxidase activity. The present work describes the synthesis of a hybrid, which unifies a superoxide dismutase mimetic, MnIIpyane, and a glutathione peroxidase mimetic, ebselen, that are connected via an amide bond. This unique hybrid is designed in order to convert superoxide into oxygen and water, i.e. as a potential biological agent for

  由于氧化应激在各种疾病（例如心血管疾病，神经退行性疾病和自身免疫性疾病）中的不同作用，因此氧化应激已成为药物开发的目标。在过去的几十年中，具有减少像过氧化物这样的活性氧（ROS）的能力的化合物的开发取得了长足的进步。但是，后者的歧化会导致形成另一种有害的ROS，即过氧化氢，该过氧化物可通过过氧化物酶的活性消耗掉。本工作描述了杂种的合成，该杂种统一了超氧化物歧化酶模拟物Mn II烷和谷胱甘肽过氧化物酶模拟物ebselen，它们通过酰胺键连接。设计这种独特的杂交体是为了将超氧化物转化为氧气和水，即作为完全去除ROS的潜在生物试剂，并且将来将用作进一步阐明ROS去除（病理性）生理后果的机械分子工具。
• Quinazolinone, triazolinone and pyrimidinone angiotensin II antagonists
  申请人：Merck & Co., Inc.

  公开号：US05264439A1

  公开（公告）日：1993-11-23

  Substituted heterocycles attached through a methylene bridge to novel substituted phenyl derivatives of the Formula I are useful as angiotensin II antagonists. ##STR1##

  通过一个亚甲基桥连接到新的取代苯基衍生物的取代杂环对式I的化合物可作为血管紧张素II拮抗剂。
• Quinazolinones substituted with phenoxyphenylacetic acid derivatives
  申请人：Merck & Co., Inc.

  公开号：US05401745A1

  公开（公告）日：1995-03-28

  Phenoxyphenylacetic acids and derivatives of general structural formula I ##STR1## have endothelin antagonist activity and are therefore useful in treating cardiovascular disorders, such as hypertension, postischemic renal failure, vasospasm, cerebal and cardiac ischemia, myocardial infarction, inflammatory diseases, Raynaud's disease, and endotoxic shock, and asthma.

  苯氧苯乙酸及其一般结构式I的衍生物具有内皮素拮抗活性，因此在治疗心血管疾病，如高血压、缺血后肾衰竭、血管痉挛、脑和心脏缺血、心肌梗死、炎症性疾病、雷诺氏病和内毒素休克以及哮喘方面具有用处。