tritium oxide | 14940-65-9

• 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
• 英文名称: tritium oxide
• 英文别名: tritiated water
• CAS: 14940-65-9
• 化学式: H₂O
• 分子量: 21.9994
• InChiKey: XLYOFNOQVPJJNP-PWCQTSIFSA-N

物化性质

• 沸点：
  101.51℃ [KIR78]
• 密度：
  1.214
• 颜色/状态：
  Colorless liquid
• 熔点：
  4.48 °C
• 蒸汽压力：
  Liquid vapor pressure: 2.64 kPa at 25 °C
• 汽化热：
  45.81 J/mol K at 25 °C

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  1
• 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：
  1
• 氢给体数：
  1
• 氢受体数：
  1

ADMET

毒理性

• 致癌性证据

评估：对于氢-3（氚）在人类中的致癌性，目前人类的证据不足。

Evaluation: There is inadequate evidence in humans for the carcinogenicity of hydrogen-3. /Hydrogen-3/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

/SRP:/ 立即急救：确保已经进行了充分的中和。如果患者停止呼吸，请开始人工呼吸，最好使用需求阀复苏器、球囊阀面罩设备或口袋面罩，按训练操作。如有必要，执行心肺复苏。立即用缓慢流动的水冲洗受污染的眼睛。不要催吐。如果患者呕吐，让患者身体前倾或将其置于左侧（如果可能，头部向下）以保持呼吸道畅通，防止吸入。保持患者安静，维持正常体温。寻求医疗救助。 /毒物A和B/

/SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on the left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Poisons A and B/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

/SRP:/ 基本治疗：建立专利气道（如有需要，使用口咽或鼻咽气道）。如有必要，进行吸痰。观察呼吸不足的迹象，如有需要，辅助通气。通过非循环呼吸面罩以10至15升/分钟的速度给予氧气。监测肺水肿，如有必要，进行治疗……。监测休克，如有必要，进行治疗……。预防癫痫发作，如有必要，进行治疗……。对于眼睛污染，立即用水冲洗眼睛。在运输过程中，用0.9%的生理盐水（NS）持续冲洗每只眼睛……。不要使用催吐剂。对于摄入，如果患者能吞咽、有强烈的干呕反射且不流口水，则用温水冲洗口腔，并给予5毫升/千克，最多200毫升的水进行稀释……。在去污后，用干燥的无菌敷料覆盖皮肤烧伤……。/毒药A和B/

/SRP:/ Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if needed. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 mL/kg up to 200 mL of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . Cover skin burns with dry sterile dressings after decontamination ... . /Poisons A and B/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

/SRP:/ 高级治疗：对于无意识、严重肺水肿或严重呼吸困难的病人，考虑进行口咽或鼻咽气管插管以控制气道。使用气囊面罩装置的正压通气技术可能有益。考虑使用药物治疗肺水肿……。对于严重的支气管痉挛，考虑给予β激动剂，如沙丁胺醇……。监测心率和必要时治疗心律失常……。开始静脉输注D5W /SRP: "保持开放"，最低流量/。如果出现低血容量的迹象，使用0.9%生理盐水（NS）或乳酸林格氏液。对于伴有低血容量迹象的低血压，谨慎给予液体。注意液体过载的迹象……。使用地西泮或劳拉西泮治疗癫痫……。使用丙美卡因氢氯化物协助眼部冲洗……。 /Poisons A and B/

/SRP:/ Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in severe respiratory distress. Positive-pressure ventilation techniques with a bag valve mask device may be beneficial. Consider drug therapy for pulmonary edema ... . Consider administering a beta agonist such as albuterol for severe bronchospasm ... . Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start IV administration of D5W /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Treat seizures with diazepam or lorazepam ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Poisons A and B/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

/SRP:/ 立即急救：确保已经进行了充分去污。如果患者停止呼吸，开始人工呼吸，最好使用需求阀复苏器、气囊面罩装置或口袋面罩，按培训操作。根据需要执行心肺复苏。立即用缓慢流动的水冲洗受污染的眼睛。不要催吐。如果发生呕吐，让患者前倾或将其置于左侧（如果可能的话，头部向下）以保持呼吸道畅通，防止吸入。保持患者安静，维持正常体温。寻求医疗帮助。 /放射性物质I、II和III/

/SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR as necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Radioactives I, II, and III/

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

氚在连续摄入氚水和氚麦过程中的生物动力学进行了研究，以估计两种慢性暴露模式结束时的辐射剂量率。Wistar品系雄性大鼠连续14周将氚水作为饮用水，氚麦作为食物摄入。收集尿液和组织样本，并测定新鲜湿样本中的总氚和冻干样本中的有机结合氚（OBT）。氚的生物动力学在两种暴露模式之间有所不同。暴露于氚水中的组织的总氚浓度在2到3周内达到稳态条件。在暴露于氚麦的情况下，大多数组织在暴露开始后10周内没有观察到稳态条件。与暴露于相同活性的氚水相比，慢性暴露于氚麦时相对有效和持久的OBT形成导致组织中氚的摄入和保留相对较高。在连续摄入结束时估计的辐射剂量率显示，氚麦给出的剂量率比氚水高1.3到4.5倍，但在大多数组织中，这些因素在2.0以下，除了小肠和脂肪组织。

The biokinetics of tritium during continuous ingestion of tritiated water and tritiated wheat were investigated to estimate the radiation dose rates at the end of two modes of chronic exposure. Wistar strain male rats continuously ingested tritiated water as drinking water and tritiated wheat as food for 14 weeks. Urine and tissue samples were obtained and total tritium in the fresh wet samples and organically bound tritium (OBT) in the freeze-dried samples were determined. The biokinetics of tritium was different between the two modes of exposure. The concentration of total tritium in the tissues exposed to tritiated water attained a steady-state condition by 2-3 weeks. The steady-state condition in the case of exposure to tritiated wheat was not observed for 10 weeks after the start of exposure in the majority of tissues. The relatively efficient and prolonged OBT formation during chronic exposure to tritiated wheat resulted in relatively high incorporation and retention of tritium in the tissues compared with those for exposure to the same activity of tritiated water.Radiation dose rates estimated at the end of continuous ingestion showed that tritiated wheat gave higher dose rates than tritiated water by a factor of 1.3 to 4.5, but the factors were within 2.0 in the majority of tissues except for small intestine and adipose tissue.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

关于人体长期排泄氚化水（HTO）的稀缺已发布数据进行了重新评估，以开发一个生物动力学模型，描述氚化水（HTO）中的3H在人体内的保留情况，该模型可用于前瞻性和回顾性辐射防护。提出了一种三组分指数函数来描述HTO中3H的消除，其生物学半衰期分别为10天（99.00%）、40天（0.98%）和350天（0.02%）。该模型预测的承诺有效剂量为1.7 x 10(-11) Sv Bq(-1)，与当前ICRP出版物56和72模型的相当，并估计摄入后40天内3H的保留量是测量值的约2倍，在100天以上的时间内约为5倍。讨论了模型的推导和各种参数相关的不确定性。

Scarce published data on the long-term excretion of tritiated water from the human body have been re-evaluated in order to develop a biokinetic model describing the retention in the human body of 3H from tritiated water (HTO) that could be used for both prospective and retrospective radiation protection. A three-component exponential function is proposed to describe the elimination of 3H from HTO with biological half-times of 10 d (99.00%), 40 d (0.98%) and 350 d (0.02%) respectively. The model predicts a committed effective dose of 1.7 x 10(-11) Sv Bq(-1), comparable with that of the current ICRP Publication 56 and 72 models, and estimates the retention of 3H to within a factor of about 2 of the measured values up to 40 d after intake and about 5 at times longer than 100 d. The derivation of the model and the uncertainties associated with the various parameters are discussed.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

Wistar品系雄性大鼠连续70天饮用或食用标记有三氚的水或小麦。在摄取过程中，研究了三氚在大鼠肝脏、肾脏、睾丸和血液的湿样和干样中的吸收。暴露于标记有三氚的水（HTO）和（3）H食物（标记有三氚的小麦）的大鼠干组织中的有机结合氚（OBT）浓度在暴露后的2-3周内达到平衡。暴露于HTO的大鼠干组织中的OBT浓度也在暴露后的3-4周内达到平衡。然而，暴露于（3）H食物的大鼠，除了肝脏外，在其他组织中没有达到这种平衡状态，OBT浓度在整个暴露期间逐渐增加。在长期摄取（3）H食物（70天）结束时，总（3）H和OBT的相对浓度，以总活性的百分比表示，分别比暴露于HTO的大鼠高1倍和9倍。在两个实验组中，OBT以及总（3）H在所检查的组织中几乎均匀分布。

Wistar strain male rats were continuously given tritiated water or tritiated wheat as drinking water or food for 70 days. During the ingestion, the tritium incorporation into rat tissues was examined in both wet and dry samples of liver, kidney, testis and blood. The concentration of organically bound tritium (OBT) in dry tissues of rats exposed to tritiated water (HTO) and (3)H-food (tritiated wheat) attained an equilibrium within 2-3 weeks after the exposure. The concentration of OBT in dry tissues of rats exposed to HTO also reached an equilibrium within 3-4 weeks after the exposure. However, rats exposed to (3)H-food, except for the liver, such an equilibrium state was not reached in other tissues and the OBT concentrations increased gradually throughout the exposure. The relative concentrations of total (3)H and OBT at the end of the chronic ingestion of (3)H food (70 day), expressed in percentages of the total activity were 1 and 9 times higher than those in rats exposed to HTO, respectively. In both groups, OBT as well as total (3)H was almost uniformly distributed among the tissues examined.

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

氚水（HTO）迅速穿过胎盘。由于胎儿的水分浓度高于成人，因此胎儿受到的剂量大约比母亲高40%到70%。

/Tritiated water/ HTO rapidly crosses the placenta. Since the fetus has a higher water concentration than an adult, the dose to the fetus is about 40 to 70% higher than to the mother.

来源:Hazardous Substances Data Bank (HSDB)

安全信息

• 危险等级：
  7
• 储存条件：
  2-8°C

反应信息

• 作为反应物：
  描述：

  tritium oxide 、 水 以 neat (no solvent) 为溶剂， 生成 氢氧化氚
  参考文献：
  名称：

  Vibrational Frequencies of the Isotopic Water Molecules; Equilibria with the Isotopic Hydrogens

  摘要：

  The fundamental frequencies, anharmonicities, and vibrational modes for the molecules HDO, HTO, DTO, and T2O are calculated on the basis of Dennison's and Darling's recent analysis of the vibrational spectrum of the H2O molecule. The equilibrium constants for nine equilibria involving these molecules are given. Experimental values for the reactions HD+H2O=H2+HDO and HT+H2O=H2+HTO are compared with those calculated. It is concluded that the vibrational potential function is essentially unaltered by isotopic substitution.

  DOI：

  10.1063/1.1723810
• 作为产物：
  描述：

  重水 生成 tritium oxide
  参考文献：
  名称：

  STORMS, EDMUND;TALCOTT, CAROL, FUSION TECHNOL., 17,(1990) N, C. 680-695

  摘要：

  DOI：
• 作为试剂：
  描述：

  丁螺环酮 在 tritium oxide 作用下， 以 N-甲基吡咯烷酮 为溶剂， 生成
  参考文献：
  名称：

  光氧化还原催化的药物化合物的氘化和氚化

  摘要：

  为药物标记开辟道路 在药物开发过程中研究候选化合物如何被生物吸收和分解非常重要。跟踪药物命运的一种常用技术是用较重的氢同位素（氘或氚）标记其分子框架。洛等人。开发了一种光促进协议，将这些标签安装在与氮相邻的烷基碳上。该技术依赖于通过酸碱化学将重同位素结合到来自方便的重水源的硫醇中。接下来，光氧化还原催化剂从碳中剥离出一个氢原子等价物，硫醇参与自由基化学以将氘或氚转移到其位置。科学，这个问题 p。1182 光促进原子转移协议使用重水同位素标记烷基位点以进行药物代谢研究。氘和氚标记的药物化合物是药物发现研究中的关键诊断工具，可提供有关药物和药物代谢物的生物学归宿的重要信息。在此，我们证明了光氧化还原介导的氢原子转移协议可以使用同位素标记的水（D2O 或 T2O）作为一步有效且选择性地将氘（D）和氚（T）安装在 α-氨基 sp3 碳-氢键上。氢同位素的来源。在这种情况下，我们还报告了从 T2 方便地合成

  DOI：

  10.1126/science.aap9674

文献信息

• Cyanohydridoborate anion as a selective reducing agent
  作者：Richard F. Borch、Mark D. Bernstein、H. Dupont Durst

  DOI：10.1021/ja00741a013

  日期：1971.6

  amines under acid catalysis. Reaction of a n aldehyde or ketone with ammonia, primary amine, or secondary amine a t p H -7 i n the presence of BHaCNleads t o primary, secondary, or tertiary amines, respectively, uia reductive amination of the carbonyl group. Reaction of substituted pyruvic acids with ammonia and BH3CNaffords an excellent method for the synthesis of amino acids; l5N labeling can be accomplished

  氰基氢化硼酸钠 (NaBH3CN) 以显着的选择性还原各种有机官能团。醛和酮的还原依赖于 pH，反应在 pH 3-4 下很容易进行。在酸催化下，肟 a 顺利还原为烷基羟胺，烯胺还原为胺。在 BHaCN 存在下，醛或酮与氨、伯胺或仲胺在 H -7 处的反应分别导致伯胺、仲胺或叔胺，以及羰基的还原胺化。取代丙酮酸与氨和 BH3CN 的反应提供了一种合成氨基酸的极好方法；15N 标记可以通过使用 I5NH3 来完成。BHICN 的氢可以很容易地交换为氘或氚，因此允许合成氘或氚标记的醇、胺和氨基酸。早期发现氰基氢硼酸锂的还原能力 4 和酸稳定性 5 ，并致力于研究改性硼氢化物作为有机官能团的选择性还原剂 。2.3 2127 (1962)；(c) R. 保罗和 N。约瑟夫，布尔。SOC。化学 神父，550 (1952)；(d) HC Brown 和 EJ Mead, J。阿米尔。化学 SOC., 75
• Exchange Reactions between Hydrogen Gas and Hydroxyl Groups. A Convenient Preparation of Tritium-labeled Water¹
  作者：C. Gardner Swain、A. Jerry Kresge

  DOI：10.1021/ja01552a067

  日期：1958.10

  The exchange reactions between deuterium gas and methanol or water catalpzed by platinum have been found to proceed at a convenient rate at room temperature and to be limited to exchange of hydroxylic hydrogen. Use of this reaction to label water with tritium provides a superior method for preparing tritiated water. An extension to the preparation of tritiated alcohols is suggested. (auth)

  已发现氘气与甲醇或铂催化的水之间的交换反应在室温下以方便的速率进行，并且仅限于羟基氢的交换。使用该反应用氚标记水提供了制备氚化水的优良方法。建议扩展氚化醇的制备。（授权）
• Synthesis of 1-Hydrogermatrane Labelled with Tritium on the Ge–H Bond
  作者：V. V. Avrorin、Т. А. Kochina、I. S. Ignat’ev、Yu. Е. Ermolenko

  DOI：10.1134/s1070363218100365

  日期：2018.10

  The method of preparation of 1Н-germatrane labelled with tritium on the germanium–hydrogen bond was elaborated with specific activity of 0.3 mCi/mg (~70 mCi/mmol).

  制备1个所述的方法Н用氚标记的锗-氢键-germatrane用0.3毫居里/毫克比活性（〜70毫居里/毫摩尔）的阐述。
• Radiochemical diagnostics of thermal hydrolysis of aluminum trichloride
  作者：S. B. Baronov、S. S. Berdonosov、Yu. V. Baronova、I. V. Melikhov

  DOI：10.1007/s11137-005-0017-6

  日期：2004.9

  Thermal hydrolysis of aluminum chloride was studied using 36Cl and 3H tracers in combination with energy-dispersive and morphological (scanning electron microscopy) analyses. Pure partially hydrated AlCl3 or mixtures of AlCl3 and AlCl3 ⋅ 6H2O were used as initial materials. It was found that Al7O10Cl ⋅ 2H2O microtubes along with isometric microparticles are formed in the course of thermal hydrolysis due to evaporation and partial hydrolysis of the initial AlCl3. In this case, AlCl3 ⋅ 6H2O acts as a source of water vapor, whereas chlorine atoms contained in this compound do not pass into the microtube material. The tests with water labeled with tritium also showed no incorporation of tritium in microtubes. Thus, thermal hydrolysis of AlCl3 proceeds predominantly by the recrystallization mechanism.

  利用 36Cl 和 3H 示踪剂，结合能量色散和形态学（扫描电子显微镜）分析，对氯化铝的热水解进行了研究。初始材料为纯的部分水合 AlCl3 或 和 ⋅ 6H2O 的混合物。研究发现，在热水解过程中，由于初始 的蒸发和部分水解，形成了 Al7O10Cl ⋅ 2H2O 微管和等距微颗粒。在这种情况下， ⋅ 6H2O 是水蒸气的来源，而这种化合物中所含的氯原子不会进入微管材料中。用氚标记的水进行的试验也表明，微管中没有氚。因此， 的热水解主要是通过再结晶机制进行的。
• Lithium cyanohydridoborate, a versatile new reagent
  作者：Richard F. Borch、H. Dupont Durst

  DOI：10.1021/ja01042a078

  日期：1969.7