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Oxozirconium;dihydrochloride

中文名称
——
中文别名
——
英文名称
Oxozirconium;dihydrochloride
英文别名
——
Oxozirconium;dihydrochloride化学式
CAS
——
化学式
Cl2H2OZr
mdl
——
分子量
180.14
InChiKey
CMOAHYOGLLEOGO-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    0.72
  • 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:
    2
  • 氢受体数:
    1

ADMET

毒理性
  • 毒性总结
鉴定和使用:氯氧化锆是一种白色固体。它用于制造其他锆化合物;沉淀酸性染料;制备高质量的颜料调色剂;作为防水剂、化学试剂以及油田酸化助剂。它还曾被用于制备身体除臭剂和抗汗渍制剂。 人类暴露和毒性:摄入氯氧化锆引起的急性中毒表现以下症状:口腔和喉咙灼痛,呕吐,水样或血性腹泻,里急后重,干呕,溶血,血尿,无尿,肝脏损伤伴黄疸,抽搐,低血压,和衰竭。通过其水解生成盐酸,氯氧化锆在暴露时可以刺激呼吸道和身体其他表面。 动物研究:氯氧化锆具有相对较低的急性毒性(大鼠口服LD50为3500 mg/kg,大鼠腹腔注射LD50为400 mg/kg,大鼠皮下注射LD50为1227 mg/kg,小鼠腹腔注射LD50为335 mg/kg)。在兔子和猫的平滑肌和横纹肌上暴露于纯氯氧化锆,表明在1 mM浓度下兔子的正常蠕动作用减慢,但在猫身上的效果不太明显。用林格氏溶液清洗后,这些效果是可逆的。在0.006 mM浓度下,氯氧化锆缩短了兔心房和心室的移动幅度并收缩冠状动脉。后一种效果似乎是不可逆的。在雄性小鼠腹腔注射氯氧化锆后研究了Ig M抗体的产生。结论是该化学品可能与体液免疫反应有关,具有类似佐剂的活动。由于锆暴露引起的Ig M抗体产生反应可能取决于注射剂量与排泄金属的能力之间的生理平衡。研究了单次口服暴露于不同浓度氯氧化锆对小鼠骨髓染色体的影响。结果表明,该金属可能在低于预期的浓度下刺激淋巴细胞分裂。这些单次剂量暴露显著增加了异常中期细胞的频率。在所有浓度下,两性的总异常百分比均有所增加。增加的程度与使用的浓度直接相关。总的来说,雌性产生的异常比雄性相对较高。沙门氏菌/哺乳动物微体试验(TA 97, TA 98, TA 1535, TA 1537, 和 TA 100)表明氯氧化锆在有无活化情况下均为阴性。 生态毒性研究:氯氧化锆在相当低的浓度(100 ppm)和pH范围为2-11下沉淀磷酸盐并限制藻类生长。在这个浓度下,ZrOCl2似乎对测试的鱼类(Heteropneustes fossilis和Clarius sp.)或藻类(Anabaena doliolum和Chlorella vulgaris)无害。研究了氯氧化锆对Tubifex tubifex的急性毒性,在半静态条件下。Tubifex tubifex暴露于对照和测试化学品,按照对数尺度进行96小时。在96小时暴露后,没有观察到显著的运动能力丧失。
IDENTIFICATION AND USE: Zirconium oxychloride is a white solid. It is used to make other zirconium compounds; to precipitate acid dyes; to prepare high quality pigment toners; as a water repellent, chemical reagent and as an oil-field acidizing aid. It has also been used in preparation of body deodorants and antiperspirant preparations. HUMAN EXPOSURE AND TOXICITY: Acute poisoning from ingestion of zirconium oxychloride resulted in the following symptoms: burning pain in the mouth and throat, vomiting, watery or bloody diarrhea, tenesmus, retching, hemolysis, hematuria, anuria, liver damage with jaundice, convulsions, hypotension, and collapse. Through its hydrolysis to hydrochloric acid, zirconium oxychloride can irritate the respiratory tract and other superficial surfaces of the body on exposure. ANIMAL STUDIES: Zirconium oxyxhloride has relatively low acute toxicity (LD50 rat oral 3,500 mg/kg, LD50 rat ip 400 mg/kg, LD50 rat sc 1227 mg/kg, LD50 mouse ip 335 mg/kg). Exposure to pure zirconium oxychloride on smooth and striated muscle in rabbits and cats indicated that normal peristaltic action in rabbits was slowed at 1 mM concentration but the effect was less noticeable in cats. The effects were reversible on washing with Ringer's solution. At 0.006 mM concentration, zirconium oxychloride shortened amplitude of movement of auricle and ventricle of rabbit heart and constricted coronary arteries. The latter effect appeared irreversible. Ig M antibody production was studied in male mice ip injected with zirconium oxychloride. It was concluded that the chemical may have an adjuvant like activity in relation to humoral immune response. The response of Ig M antibody production due to zirconium exposure may depend on the physiological balance between the injected dose and the ability to excrete the metal. The effect of a single oral exposure to different concentrations of zirconium oxychloride was studied on bone marrow chromosomes of mice. The findings indicated that the metal may stimulate division in lymphocytes at lower concentrations than expected. These single dose exposures significantly enhanced the frequency of aberrant metaphases. The percentages of total abnormalities were increased in both sexes at all concentrations. The degree of increase was directly related to the concentration used. In general, the abnormalities produced were relatively higher in females than in males. Salmonella/mammalian microsome assay (TA 97, TA 98, TA 1535, TA 1537, and TA 100) was negative for zirconium oxychloride with or without activation. ECOTOXICITY STUDIES: Zirconium oxychloride precipitates phosphate and limits algal growth at fairly low concentrations (100 ppm) at a pH range of 2-11. At this concentration, ZrOCl2 does not seem to be harmful either to the tested fish (Heteropneustes fossilis and Clarius sp.) or algae (Anabaena doliolum and Chlorella vulgaris). The acute toxicity of zirconium oxychloride to Tubifex tubifex was studied under semi-static conditions. Tubifex tubifex were exposed to control and test chemical following a logarithmic scale for 96 hours. No significant immobilization was observed after 96 hours exposure.
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 副作用
Dermatotoxin - 皮肤烧伤。
Dermatotoxin - Skin burns.
来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
毒理性
  • 相互作用
两个IV族金属之间的相互作用,高度有毒的铅和相对不活跃且低毒性的锆,在小鼠(Mus musculus)的骨髓染色体中进行了研究。实验小鼠口服了低剂量和高剂量的氯氧化锆,分别是在喂食不同剂量的硝酸铅之前2小时、之后2小时或同时喂食。只有在锆的较低剂量在铅之前给药时,才观察到对铅诱导的断裂作用的防护。所有其他组合都显示出加性或协同效应,这是通过显著增加染色体畸变频率看到的。
The interaction between two group IV metals, the highly toxic lead and the relatively inactive and low toxic zirconium, was studied in the bone marrow chromosomes of Mus musculus /(mice)/ in vivo. Low and high doses of zirconium oxychloride were fed orally to the experimental mice (i) 2 hr before, (ii) 2 hr after or (iii) together with different doses of lead nitrate. Protection against lead-induced clastogenicity was observed only when the lower dose of zirconium was administered prior to lead. All other combinations gave an additive or synergistic effect as was seen by significant increases in the frequencies of chromosomal aberrations.
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毒物清除。如果患者停止呼吸,开始人工呼吸,最好使用需求阀复苏器、袋阀面罩装置或口袋面罩,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。如果发生呕吐,让患者前倾或置于左侧(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。 /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,协助通气。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,如果患者能够吞咽、有强烈的呕吐反射且不流口水,则用水冲洗口腔,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……。/毒物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)