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(2-Oxo-1,3,2,4-dioxazalumetidin-2-ium-4-yl) nitrate;nitrate

中文名称
——
中文别名
——
英文名称
(2-Oxo-1,3,2,4-dioxazalumetidin-2-ium-4-yl) nitrate;nitrate
英文别名
——
(2-Oxo-1,3,2,4-dioxazalumetidin-2-ium-4-yl) nitrate;nitrate化学式
CAS
——
化学式
AlN3O9
mdl
——
分子量
213.0
InChiKey
JLDSOYXADOWAKB-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):
    -1.1
  • 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:
    189
  • 氢给体数:
    0
  • 氢受体数:
    9

ADMET

代谢
铝通过口服或吸入暴露的吸收情况很差,并且基本上不会通过皮肤吸收。铝的生物利用度受到铝化合物的影响,以及饮食成分的存在,这些成分可以与铝形成复合物,增强或抑制其吸收。铝在血液中与各种配体结合并分布到每个器官,其中在骨骼和肺组织中浓度最高。在生物体中,铝被认为存在四种不同的形式:作为自由离子,作为低分子量复合物,作为物理结合的大分子复合物,以及作为共价结合的大分子复合物。吸收的铝主要通过尿液排出,其次是在胆汁中,而未吸收的铝则通过粪便排出。摄入一定量的硝酸盐和亚硝酸盐是人类氮循环的正常部分。在适当的条件下,硝酸盐可以在胃肠系统中转化为亚硝酸盐,显著增强硝酸盐的毒性。硝酸盐的主要代谢途径是转化为亚硝酸盐,然后转化为氨。亚硝酸盐、硝酸盐及其代谢物通过尿液排出。
Aluminum is poorly absorbed following either oral or inhalation exposure and is essentially not absorbed dermally. The bioavailability of aluminum is strongly influenced by the aluminum compound and the presence of dietary constituents which can complex with aluminum and enhance or inhibit its absorption. Aluminum binds to various ligands in the blood and distributes to every organ, with highest concentrations found in bone and lung tissues. In living organisms, aluminum is believed to exist in four different forms: as free ions, as low-molecular-weight complexes, as physically bound macromolecular complexes, and as covalently bound macromolecular complexes. Absorbed aluminum is excreted principally in the urine and, to a lesser extent, in the bile, while unabsorbed aluminum is excreted in the faeces. Intake of some amount of nitrates and nitrites is a normal part of the nitrogen cycle in humans. In vivo conversion of nitrates to nitrites can occur in the gastrointestional tract under the right conditions, significantly enhancing nitrates' toxic potency. The major metabolic pathway for nitrate is conversion to nitrite, and then to ammonia. Nitrites, nitrates, and their metabolites are excreted in the urine. (L1137, L739)
来源:Toxin and Toxin Target Database (T3DB)
毒理性
  • 毒性总结
铝的主要靶器官是中枢神经系统和骨骼。铝与饮食中的磷结合,影响胃肠道对磷的吸收。体内磷负荷的降低会导致骨软化(由于骨骼矿化缺陷导致的骨骼软化)和佝偻病。铝的神经毒性被认为涉及多种机制。细胞骨架蛋白功能的变化,如磷酸化、蛋白水解、运输和合成的改变,被认为是一个原因。铝可能通过影响血脑屏障的通透性、胆碱能活性、信号转导途径、脂质过氧化以及损害神经元谷氨酸一氧化氮-环磷酸鸟苷酸途径,以及由于类似的配位化学性质和随后的竞争性相互作用,干扰必需微量元素的代谢,从而诱导神经行为效应。铝还可以与雌激素受体相互作用,增加雌激素相关基因的表达,从而促进乳腺癌的进展。某些铝盐通过激活炎症小体来诱导免疫反应。硝酸盐的毒性是由于它进入体内后转化为亚硝酸盐。亚硝酸盐导致氧合血红蛋白的自催化氧化成过氧化氢和高铁血红蛋白。这种高铁血红蛋白水平的升高被称为高铁血红蛋白血症,其特点是组织缺氧,因为高铁血红蛋白不能结合氧气。(A2450, L1613, L739, A235, A236)
The main target organs of aluminum are the central nervous system and bone. Aluminum binds with dietary phosphorus and impairs gastrointestinal absorption of phosphorus. The decreased phosphate body burden results in osteomalacia (softening of the bones due to defective bone mineralization) and rickets. Aluminum's neurotoxicity is believed to involve several mechanisms. Changes in cytoskeletal protein functions as a results of altered phosphorylation, proteolysis, transport, and synthesis are believed to be one cause. Aluminum may induce neurobehavioral effects by affecting permeability of the blood-brain barrier, cholinergic activity, signal transduction pathways, lipid peroxidation, and impair neuronal glutamate nitric oxide-cyclic GMP pathway, as well as interfere with metabolism of essential trace elements because of similar coordination chemistries and consequent competitive interactions. Aluminum can also interact with estrogen receptors, increasing the expression of estrogen-related genes and contributing to the progression of breast cancer. Certain aluminum salts induce immune responses by activating inflammasomes. Nitrate's toxicity is a result of it's conversion to nitrite once in the body. Nitrite causes the autocatalytic oxidation of oxyhemoglobin to hydrogen peroxide and methemoglobin. This elevation of methemoglobin levels is a condition known as methemoglobinemia, and is characterized by tissue hypoxia, as methemoglobin cannot bind oxygen. (A2450, L1613, L739, A235, A236)
来源:Toxin and Toxin Target Database (T3DB)
毒理性
  • 致癌性证据
A4:未被分类为人类致癌物。/铝金属和不可溶性化合物/
A4: Not classifiable as a human carcinogen. /Aluminum metal and insouble compound/
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 致癌物分类
摄入硝酸盐或亚硝酸盐,在导致内源性亚硝化的条件下,可能对人类具有致癌性(2A组)。
Ingested nitrate or nitrite under conditions that result in endogenous nitrosation is probably carcinogenic to humans (Group 2A). (L135)
来源:Toxin and Toxin Target Database (T3DB)
毒理性
  • 健康影响
铝针对神经系统,导致神经系统性能下降,并与血脑屏障功能改变有关。体内铝的积累可能导致骨骼或脑部疾病。高水平的铝与阿尔茨海默病有关。少数人对铝过敏,在接触或摄入含有铝的产品时会出现接触性皮炎、消化系统疾病、呕吐或其他症状。硝酸盐和亚硝酸盐中毒导致高铁血红蛋白血症。亚硝酸盐可能导致妊娠并发症和发育影响。它们也可能具有致癌性。
Aluminum targets the nervous system and causes decreased nervous system performance and is associated with altered function of the blood-brain barrier. The accumulation of aluminum in the body may cause bone or brain diseases. High levels of aluminum have been linked to Alzheimer's disease. A small percentage of people are allergic to aluminium and experience contact dermatitis, digestive disorders, vomiting or other symptoms upon contact or ingestion of products containing aluminium. Nitrate and nitrite poisoning causes methemoglobinemia. Nitrites may cause pregnancy complications and developmental effects. They may also be carcinogenic. (L1137, L739, L740)
来源:Toxin and Toxin Target Database (T3DB)
毒理性
  • 暴露途径
口服(L739);吸入(L739)
Oral (L739) ; inhalation (L739)
来源:Toxin and Toxin Target Database (T3DB)
吸收、分配和排泄
没有发现显著的差异,无论是以氯化铝、硝酸铝还是以乳酸铝的形式给予金属离子,铝的吸收和分布以及对乳酸脱氢酶泄漏和乳酸形成的影响都相似。当铝浓度(AlCl2)超过250微摩尔时,会严重干扰在无细胞系统中对乳酸脱氢酶AST和乳酸的测定。
...No significant diferences were found in alumium uptake and distribution and its effect on lactate dehydragenase leakage and lactate formation when the metal ion was given as aluminum chloride, aluminum nitrate, or Al (lactate)3. Aluminum concentrations (AlCl2) >250 uM severely disturbed the determination of lactate dehdrogenase AST and lactate in a cell-free system. ...
来源:Hazardous Substances Data Bank (HSDB)
吸收、分配和排泄
幼年(21天大)、成年(8个月)和老年(16个月)的大鼠通过饮用水中给予硝酸铝的方式暴露于50毫克铝/千克体重和100毫克铝/千克体重,持续6个月。研究发现幼年大鼠脑部铝浓度较高。老年大鼠的尿铝水平有上升趋势。
Young (21 days old), adult (8 months), and old (16 months) rats were exposed to 50 and 100 mg aluminum/kg bw administered as aluminum nitrate in drinking water for a period of 6 months. Brain concentrations were found to be higher in young rats. Urinary aluminum levels of old rats tended to increase.
来源:Hazardous Substances Data Bank (HSDB)
吸收、分配和排泄
在兔子单次最大安全口服剂量下水溶性化合物氯化铝(333毫克铝/千克)、硝酸铝(934毫克铝/千克)、柠檬酸铝(1,081毫克铝/千克)和乳酸铝(2,942毫克铝/千克)的吸收率分别为0.57%、1.16%、2.18%和0.63%。
Following a single maximum safe oral dose of the water soluble compounds aluminum chloride (333 mg Al/kg), aluminum nitrate (934 mg Al/kg), aluminum citrate (1,081 mg Al/kg), and aluminum lactate (2,942 mg Al/kg) in rabbits, aluminum absorption was 0.57, 1.16, 2.18, and 0.63%, respectively.
来源:Hazardous Substances Data Bank (HSDB)
吸收、分配和排泄
硝酸铝以0、375、750或1500 mg/kg体重/天的剂量在四组各10只雌性SD大鼠的饮用水中给药一个月。每天测量食物和水的消耗量以及尿量。每周计算体重和蛋白质效率系数。在第10、20和30天,分析血液。在解剖时,采集各种组织样本,进行组织病理学检查,称重并通过原子吸收光谱法确定铝含量。每天摄入1500 mg铝/kg体重大鼠的尿量(6 +/- 2 mL)少于对照组大鼠(35 +/- 14 mL)。处理组与对照组大鼠的相对器官重量没有显著差异。血液参数未因铝处理而改变。尽管处理动物的组织铝浓度普遍较高,但仅在最高铝浓度的大鼠的脾脏、心脏、胃和小肠和大肠中增加显著。
Aluminium nitrate was administered in the drinking water of four groups of 10 female SD rats for one month at the following doses: 0, 375, 750, or 1500 mg/kg bw/day. Food and water consumption and urine volume were measured daily. Body weight and protein efficiency coefficients were calculated each week. On days 10, 20, and 30, blood was analyzed. At necropsy various tissues were sampled, examined histopathologically, weighed and aluminium content determined by atomic absorption spectrophotometry. Rats fed 1500 mg aluminium/kg bw/day excreted less urine (6 +/- 2 mL) than control rats (35 +/- 14 mL). There were no significant differences in relative organ weights between treated and control rats. Blood parameters were unchanged by aluminium treatment. Although tissue aluminium concentration was generally higher in treated animals the increases were only significant for spleen, heart, stomach and small and large intestine in rats receiving the highest aluminium concentration.
来源:Hazardous Substances Data Bank (HSDB)

反应信息

  • 作为反应物:
    参考文献:
    名称:
    LEWIS, JAMES CYRIL ALEXANDER;BLUNT, ROY TREVOR
    摘要:
    DOI:
  • 作为产物:
    参考文献:
    名称:
    ANGEVINE, PHILIP J.;CHU, POCHEN;DEGNAN, THOMAS F.;KIRKER, GARRY W.
    摘要:
    DOI:
  • 作为试剂:
    描述:
    Aluminum formoacetate硝酸 在 alumina 、 (2-Oxo-1,3,2,4-dioxazalumetidin-2-ium-4-yl) nitrate;nitrateAluminum formoacetate 作用下, 以 为溶剂, 反应 7.0h, 以to yield a 6.4 wt.%的产率得到(2-Oxo-1,3,2,4-dioxazalumetidin-2-ium-4-yl) nitrate;nitrate
    参考文献:
    名称:
    Microcrystalline alumina-based ceramic articles
    摘要:
    本发明揭示了基于微晶α-氧化铝的陶瓷制品,其含有至少60%氧化铝的重量,其中几乎所有氧化铝都处于α相,并具有均匀的晶粒结构,包括α-氧化铝晶粒,其平均晶粒尺寸小于0.5微米,密度大于90%理论密度。通过一种独特的溶胶-凝胶过程生产出特别有用的高模量耐火纤维等陶瓷制品,其中利用羟基铁聚合物来促进α-氧化铝转化。本发明独特的过程的固有优势是产生细晶粒的微结构,这对于像α-氧化铝纤维这样的陶瓷制品具有合理的强度是必不可少的。此外,还可以从该过程中生产出其他形状的制品,如珠子、薄片、涂层和形状或随机形状的磨料颗粒。
    公开号:
    US04954462A1
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文献信息

  • Precursors of engineered powders
    申请人:——
    公开号:US20020178865A1
    公开(公告)日:2002-12-05
    The production and selection of precursor mixtures used to produce fine powders and methods for making fine powders using the selected precursor. The precursor mixture comprises at least one metal containing precursor, the metal containing precursor has an average molecular weight of less than 2000 grams per unit mol of the metal, the metal containing precursor has a normal boiling point greater than 350K, and the viscosity of the precursor mixture is between 0.1 to 250 cP. The precursor mixture is processed under conditions that produce a fine powder from the precursor mixture. Fine powders produced are of size less than 100 microns, preferably less than 10 micron, more preferably less than 1 micron, and most preferably less than 100 nanometers.
    生产和选择用于生产细粉末的前体混合物以及使用所选前体制备细粉末的方法。前体混合物至少包含一种含金属的前体,该含金属的前体的平均分子量小于2000克/摩尔单位的金属,该含金属的前体的正常沸点大于350K,且前体混合物的粘度在0.1到250 cP之间。前体混合物在产生细粉末的条件下进行处理。制备的细粉末尺寸小于100微米,最好小于10微米,更好小于1微米,最好小于100纳米。
  • Process for producing pyridine bases
    申请人:Koei Chemical Co., Ltd.
    公开号:US03946020A1
    公开(公告)日:1976-03-23
    Pyridine bases are produced in higher yield from at least one of aliphatic carbonyl compounds and ammonia by reaction at 350.degree. to 550.degree.C under the atmospheric pressure at a space velocity of 100 to 10,000 hr.sup.-.sup.1 in the presence of a catalyst prepared by immersing silica-alumina or a silica-alumina mixture containing a promoter in an aqueous solution of ammonium halide such as ammonium chloride, ammonium iodide or ammonium bromide at a concentration of not more than 20% by weight at room temperature to 80.degree.C, washing the immersed silica-alumina or the mixture with water, and drying and calcining the same at 300.degree.C or higher. Regeneration of the catalyst after the reaction can be carried out for a much shortened time.
    在大气压下,以100到10,000 hr.sup.-.sup.1的空间速度,在350℃至550℃的条件下,利用浸渍有氯化铵、碘化铵或溴化铵等铵盐的水溶液制备的催化剂,催化至少一种脂肪族羰基化合物和氨反应,可产生更高产量的吡啶碱。浸渍的硅铝或含有助剂的硅铝混合物在室温至80℃时,铵盐的浓度不超过20%。将浸渍的硅铝或混合物用水洗涤,然后在300℃或更高温度下干燥和焙烧。反应后可以进行催化剂再生,时间大大缩短。
  • Storage-stable solutions of accelerator systems
    申请人:Ciba-Geigy Corporation
    公开号:US05470896A1
    公开(公告)日:1995-11-28
    Solutions of accelerator systems comprising a binary system comprising a) 10 to 90% by weight of a salt of formula I [Me].sub.m.sup.x.sym. [R].sub.n.sup.y.crclbar. (I), wherein x and y are the respective number of charges and m and n are each a number 1, 2, 3 or 4, Me is a metal atom and R is the radical of an alcohol, phenol or thiophenol or of a carboxylic acid or thiocarboxylic acid, or 10 to 90% by weight of a salt of formula II [Me.sub.1 ].sub.m.sup.x.sym. [A].sub.n.sup.y.crclbar. (II), with an organic complex former containing one or more hetero atoms having free electron pairs, wherein Me.sub.1 is a metal atom or a group of the formula N(R.sub.1).sub.4, S(R.sub.1).sub.3 or P(R.sub.1).sub.4 wherein each R.sub.1 independently of the others is hydrogen, an unsubstituted or substituted C.sub.1 -C.sub.6 alkyl or aryl radical, A is any anion and x, y, m and n are as defined above, and b) 90 to 10% by weight of an organic solvent containing at least one --OH, --OR.sub.1, --COOH, --COOR.sub.1, --COR.sub.1 or --CON(R.sub.1).sub.2 group wherein R.sub.1 is hydrogen, an unsubstituted or substituted C.sub.1 -C.sub.6 alkyl or aryl radical, are storage-stable with respect to temperature and time and do not precipitate, and the use thereof, for example for accelerating the hardening of epoxy resin/amine combinations, the drying times being in the range of about 15 to 40 minutes.
    加速器系统的解决方案包括二元体系,其中包括a)重量占10%至90%的公式I [Me] .sub.m.sup.x.sym. [R] .sub.n.sup.y.crclbar.(I)的盐,其中x和y分别是电荷数,m和n是1、2、3或4的数字,Me是金属原子,R是醇,酚或硫酚或羧酸或硫代羧酸的基团,或重量占10%至90%的公式II [Me.sub.1] .sub.m.sup.x.sym. [A] .sub.n.sup.y.crclbar.(II)的盐,与含有一个或多个具有自由电子对的杂原子的有机络合剂,其中Me.sub.1是金属原子或公式N(R.sub.1).sub.4,S(R.sub.1).sub.3或P(R.sub.1).sub.4的基团,其中每个R.sub.1独立于其他人是氢,未取代或取代的C.sub.1-C.sub.6烷基或芳基基团,A是任何阴离子,x,y,m和n如上所定义,b)重量占90%至10%的有机溶剂,其中至少含有一个-OH,-OR.sub.1,-COOH,-COOR.sub.1,-COR.sub.1或-CON(R.sub.1).sub.2基团,其中R.sub.1是氢,未取代或取代的C.sub.1-C.sub.6烷基或芳基基团,对于温度和时间具有储存稳定性且不沉淀,其用途,例如用于加速环氧树脂/胺组合物的固化,干燥时间在约15至40分钟之间。
  • Lithium aluminate/zirconium material useful in the production of tritium
    申请人:The United States of America as represented by the Department of Energy
    公开号:US04475948A1
    公开(公告)日:1984-10-09
    A composition is described useful in the production of tritium in a nuclear eactor. Lithium aluminate particles are dispersed in a matrix of zirconium. Tritium produced by the reactor of neutrons with the lithium are absorbed by the zirconium, thereby decreasing gas pressure within capsules carrying the material.
    一种在核反应堆中生产氚的有用组合物被描述。在锆基质中分散了氧化锂颗粒。由中子与氢同位素锂相互作用产生的氚被锆吸收,从而降低了携带该材料的胶囊内的气体压力。
  • Method for producing alpha-alumina powder
    申请人:Maki Hajime
    公开号:US20050008565A1
    公开(公告)日:2005-01-13
    A method for producing α-alumina powder is described. The method comprises the steps of removing water from a compound containing the following (1), (2), (3) and (4), and calcining the results: (1) α-alumina precursor, (2) seed crystal, (3) water, (4) nitrate ion in an amount of from 2.8 to 3.3 mol per mol of aluminum (Al) contained in the α-alumina precursor and the seed crystal.
    本文描述了一种制备α-氧化铝粉末的方法。该方法包括以下步骤:从含有以下物质(1)、(2)、(3)和(4)的化合物中去除水分,并对结果进行煅烧:(1)α-氧化铝前体,(2)种子晶体,(3)水,(4)硝酸盐离子,其量为每摩尔α-氧化铝前体和种子晶体中所含的铝(Al)的摩尔数为2.8至3.3。
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