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4H-1,2,4-三唑,4-(3-氯-4-氟苯基)-3-(4-甲基苯基)-5-(p一氧代甲基)- | 533-96-0

中文名称
4H-1,2,4-三唑,4-(3-氯-4-氟苯基)-3-(4-甲基苯基)-5-(p一氧代甲基)-
中文别名
倍半碳酸钠;倍半碳酸钠二水合物;碳酸钠盐;碳酸钠盐(2:3);碳酸氢三钠
英文名称
Sodium sesquicarbonate
英文别名
trisodium;hydrogen carbonate;carbonate
4H-1,2,4-三唑,4-(3-氯-4-氟苯基)-3-(4-甲基苯基)-5-(p一氧代甲基)-化学式
CAS
533-96-0;72227-05-5;6106-20-3
化学式
C2HNa3O6
mdl
——
分子量
189.99
InChiKey
WCTAGTRAWPDFQO-UHFFFAOYSA-K
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

物化性质

  • 密度:
    2.1120
  • LogP:
    -0.809 (est)
  • 物理描述:
    White flakes, crystals or crystalline powder
  • 颜色/状态:
    White crystals, flakes, or crystalline powder
  • 熔点:
    Decomposes
  • 溶解度:
    Solubility in water, g/100ml at 20 °C: 16
  • 稳定性/保质期:

    Crystals are stable in air /Sodium sesquicarbonate dihydrate/

  • 分解:
    70 °C

计算性质

  • 辛醇/水分配系数(LogP):
    -12.55
  • 重原子数:
    11
  • 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:
    124
  • 氢给体数:
    1
  • 氢受体数:
    6

ADMET

毒理性
  • 解毒与急救
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,按训练进行操作。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,让患者向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。/有机碱/胺类及相关化合物/
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. /Organic bases/Amines and related compounds/
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 解毒与急救
基本治疗:建立专利气道(如需要,使用口咽或鼻咽气道)。如有必要,进行吸痰。密切观察呼吸不足的迹象,如有必要,协助通气。通过非重复呼吸面罩以10至15升/分钟的速度给予氧气。监测肺水肿,并在必要时进行治疗……。监测休克,并在必要时进行治疗……。预防性处理癫痫,并在必要时进行治疗……。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、有强烈的干呕反射且不流口水,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。给予活性炭……。在去污染后,用干燥的无菌敷料覆盖皮肤烧伤……。/有机碱/胺和相关化合物/
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 necessary. 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 patent can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... . Cover skin burns with dry sterile dressings after decontamination ... . /Organic bases/Amines and related compounds/
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 解毒与急救
高级治疗:对于失去意识、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。使用带有气囊-阀-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...。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”,最小流量/。如果出现低血容量的迹象,使用0.9%生理盐水(NS)或乳酸钠林格液(LR)。对于伴有低血容量迹象的低血压,谨慎给予液体。如果病人对这些措施无反应,血管加压药可能有所帮助。注意观察液体过载的迹象...。如果病人在严重低氧血症、发绀和心脏功能不全且对氧疗无反应时出现症状,给予1%亚甲基蓝溶液。...。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...。/有机碱/胺及相关化合物/
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 ... . 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 (LR) if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. If patient is unresponsive to these measures, vasopressors may be helpful. Watch for signs of fluid overload ... . Administer 1% solution methylene blue if patient is symptomatic with severe hypoxia, cyanosis, and cardiac compromise not responding to oxygen. ... . Treat seizures with diazepam or lorazepam ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Organic bases/Amines and related compounds/
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 人类毒性摘录
/SURVEILLANCE/ Trona(重碳酸钠)是从怀俄明州的一个地下矿床中开采出来,并加工用于玻璃、纸张、洗涤剂和化学应用。Trona粉尘是碱性的(pH 10.5),可能会对呼吸道、粘膜和皮肤产生刺激作用。一项针对142名地下矿工和88名地表工作人员的流行病学研究中共有志愿者参与,他们的平均年龄为37.6岁,平均工龄为10.0年。有23%的人患有慢性咳嗽和痰,这两个症状在吸烟者中比非吸烟者更为常见。有33%的工人在平地快走或轻微上坡行走时出现呼吸困难。一半的工人抱怨有上呼吸道症状和眼睛刺激。吸烟者和前吸烟者的1秒用力呼气容积(FEV1.0)随年龄显著下降;与非吸烟对照组相比,前吸烟者的FEV1.0还与工龄下降有关。个人粉尘测量的非吸烟者与可吸入粉尘暴露相关的FEV1.0显著下降。对104名工人的轮班研究发现,非吸烟者和地表工作人员的FEV1.0显著下降。在高粉尘暴露组中,显著性有所提高。对125名工人的5年肺功能随访显示,预测的用力肺活量和FEV1.0的平均百分比有所增加。轮班研究下降与5年的长期随访之间没有相关性。工业卫生粉尘采样发现总粉尘水平升高,但可吸入粉尘水平较低,未检测到游离二氧化硅。
/SURVEILLANCE/ Trona (sodium sesquicarbonate) is mined from an underground deposit in Wyoming and processed for use in glass, paper, detergent, and chemical applications. Trona dust is alkaline (pH 10.5) and can have an irritant effect on respiratory airways, mucous membranes, and the skin. A study population of 142 underground miners and 88 surface workers from one facility volunteered for an epidemiologic study. Their mean age was 37.6 yr and mean duration of employment was 10.0 yr. The percentage with chronic cough and phlegm was 23%; both symptoms were more common among smokers than nonsmokers. Thirty-three percent of the workers complained of dyspnea when hurrying on level ground or walking up a slight hill. Half of the workers complained of upper respiratory tract symptoms and eye irritation. Both smokers and exsmokers had significant declines of forced expiratory volume in 1 sec (FEV1.0) with age; exsmokers also had declines with work-years when compared to a nonsmoking comparison population. Nonsmokers with personal dust measurements had a significant decline of FEV1.0 related to respirable dust exposure. A shift study of 104 workers revealed a significant fall in FEV1.0 among nonsmokers and surface workers. Significance was approached in the high dust exposure group. An increase in the mean percent predicted forced vital capacity and FEV1.0 was shown for the 125 workers who had a 5-yr follow-up of pulmonary function. There was no correlation between the shift study decrements and the longitudinal 5-yr follow-up. Industrial hygiene dust sampling found elevated levels of total dust but lower respirable dust, with no detectable free silica.
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 非人类毒性摘录
兽医学病例报告:一起饲料配比错误导致在肉鸡饲料中添加了碳酸氢钠(SSC)。SSC是一种缓冲剂,用于制造高尿素反刍动物饲料,这个饲料厂也生产这种饲料。农场收到受污染的肉鸡饲料后两天内,鸡只表现出多饮和湿粪,并且死亡率增加。尸检病变包括脱水、充满液体的肠道、肿胀、苍白的肾脏和内脏尿酸盐沉积。肾脏的组织病理学显示肾小管扩张,有巨细胞反应,肾小管上皮细胞丢失,以及一些针状晶体。在三个受严重影响鸡舍中,接触后4天内的死亡率达到了17%。对饲料的分析显示钠含量在2.59%到4.88%之间,氯含量为0.24%-0.40%。认为饲料中有10%是含有36%钠的SSC。为了确定SSC的存在是否导致了观察到的問題,进行了一项对照研究。将150只3周大的肉鸡均匀分配到三个地面鸡舍中。一组喂食正常生长饲料,第二组喂食含有5% SSC的饲料,第三组接收含有10% SSC的饲料。测定了死亡率、红细胞压积(PCV)、总血清蛋白和肾脏的组织病理学。10% SSC组有6%的死亡率。摄入含有SSC的饲料一天内,通过升高的PCV明显看出脱水。与对照组相比,摄入SSC的鸡只在肾脏的显微病变更为严重。
/VETERINARY CASE REPORTS/ A case of feed misformulation resulted in the addition of sodium sesquicarbonate (SSC) into broiler chicken feed. SSC is a buffering agent used in the manufacture of high urea ruminant feeds that were also produced in this feed mill. Within 2 days of receipt of the tainted broiler feed on the farm, chickens were exhibiting polydypsia and wet droppings and had increased levels of mortality. The postmortem lesions were dehydration, fluid-filled intestines, swollen, pale kidneys, and visceral urate deposits. Histopathology of the kidneys revealed dilated tubules with a giant cell response, loss of tubular epithelium, and a few needlelike crystals. The mortality within 4 days of exposure in three severely affected houses reached 17%. An analysis of the feed revealed sodium levels ranging from 2.59% to 4.88%, with chloride levels of 0.24%-0.40%. Ten percent of the ration was thought to be SSC that contains 36% sodium. To determine if the presence of the SSC caused the problems observed, a controlled study was undertaken. One hundred fifty 3-wk-old broilers were evenly distributed into three floor pens. One group was fed a normal grower ration, a second group was fed a ration containing 5% SSC, and a third group received a ration with 10% SSC. Mortality, packed cell volumes (PCV), total serum proteins, and histopathology of the kidneys were determined. The 10% SSC group had a 6% mortality. Dehydration was evident by elevated PCV within 1 day of ingestion of either ration containing SSC. Microscopic lesions in the kidney were more severe in chickens ingesting SSC when compared with control groups.
来源:Hazardous Substances Data Bank (HSDB)

制备方法与用途

食品添加剂最大允许使用量与残留量标准 添加剂信息
  • 添加剂中文名称:碳酸氢三钠

  • 允许使用该种添加剂的食品中文名称

    • 饼干
    • 糕点
    • 乳及乳制品(01.01.01、13.0涉及品种除外)(注:01.01.01纯乳仅限羊奶)
  • 添加剂功能:酸度调节剂

  • 最大允许使用量(g/kg)

    • 饼干:按生产需要适量使用
    • 糕点:按生产需要适量使用
    • 乳及乳制品(01.01.01、13.0涉及品种除外)(注:01.01.01纯乳仅限羊奶):按生产需要适量使用
化学性质
  • 白色针状或片状结晶或结晶性粉末,相对密度2.112。
  • 易溶于水及酸,水溶液呈强碱性(但较碳酸钠弱)。
  • ADI不需要特殊规定(FAO/WHO, 1996)。
用途
  • 作缓冲剂和中和剂,可用于羊奶、乳制品、饼干和糕点,按生产需要适量使用。
  • 用于水处理及生产洗涤剂、去污剂等。
生产方法

由等摩尔的碳酸钠和碳酸氢钠溶于水后再结晶而得。

反应信息

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文献信息

  • Compounds with growth hormone releasing properties
    申请人:——
    公开号:US20030040483A1
    公开(公告)日:2003-02-27
    Compounds of peptide mimetic nature having the general formula I 1 wherein a and b are independently 1 or 2, R 1 and R 2 are independently H or C 1-6 alkyl, G and J are independently, inter alia, aromats, and D and E are independently several different groups are growth hormone secretagogous with improved bioavailability.
    具有一般式I1的肽类类似物化合物,其中a和b独立地为1或2,R1和R2独立地为H或C1-6烷基,G和J独立地为芳香族等,D和E独立地为多种不同的基团,具有改善生物利用度的生长激素分泌剂。
  • Process for preparing substituted glycines
    申请人:SmithKline Corporation
    公开号:US03994954A1
    公开(公告)日:1976-11-30
    A new process is disclosed for the preparation of N-acyl-.alpha.-aromatic and N-acyl-.alpha.-heteroaromatic glycines by reaction of an .alpha.-ester or ether of an N-acylglycine ester or acid with an aromatic or heteroaromatic compound. Also disclosed are new intermediates for preparing N-acyl-.alpha.-aromatic and N-acyl-.alpha.-heteroaromatic glycines.
    本发明揭示了一种制备N-酰基-α-芳基和N-酰基-α-杂芳基甘氨酸的新工艺,该工艺通过将N-酰基甘氨酸酯或酸的α-酯或醚与芳香或杂芳化合物反应来实现。同时,本发明还揭示了制备N-酰基-α-芳基和N-酰基-α-杂芳基甘氨酸的新中间体。
  • Process for recovering sodium carbonate from trona and other mixtures of
    申请人:Allied Corporation
    公开号:US04584077A1
    公开(公告)日:1986-04-22
    A process and a system for converting materials comprising sodium carbonate and sodium bicarbonate, such as dry-mined or subterranean deposits of trona, into a liquid comprising sodium carbonate substantially free of sodium bicarbonate. The process and the system incorporate the features of: (a) forming an aqueous solution comprising sodium carbonate and sodium bicarbonate; (b) removing a portion of said sodium bicarbonate from said solution to form a mother liquor comprising sodium carbonate and a reduced amount of sodium bicarbonate; (c) subjecting the mother liquor to electrodialytic water splitting by circulating the water liquor through an electrodialytic water splitter to produce a liquid reaction product comprising sodium carbonate substantially free of sodium bicarbonate; and (d) withdrawing the liquid reaction product comprising sodium carbonate substantially free of sodium bicarbonate from the electordialytic water splitter. The sodium carbonate solutions removed from the water splitter may be used as is, or subjected to further processing to produce a more concentrated final product. Two or three compartment electrodialytic water splitters can be used. The invention also details an effective method and system for isolating sodium carbonate by an electrodialysis process which eliminates the generation of CO.sub.2 gas in the water splitter.
    一种将碳酸钠和小苏打组成的材料,例如干矿或地下沉积物转化为液体的方法和系统,其中液体中的碳酸钠基本上不含小苏打。该方法和系统包括以下特点:(a)形成包含碳酸钠和小苏打的水溶液;(b)从溶液中去除一部分小苏打,形成包含碳酸钠和较少小苏打的母液;(c)将母液通过电渗析水分解处理,通过电渗析水分解器循环水溶液来产生碳酸钠基本上不含小苏打的液体反应产物;(d)从电渗析水分解器中提取碳酸钠基本上不含小苏打的液体反应产物。从水分解器中取出的碳酸钠溶液可以直接使用,或经过进一步处理以产生更浓缩的最终产品。可以使用两个或三个隔室的电渗析水分解器。该发明还详细描述了一种通过电渗析过程分离碳酸钠的有效方法和系统,该方法消除了水分解器中CO.sub.2气体的产生。
  • Electrochemical system and process for stripping metallic coatings
    申请人:General Electric Company
    公开号:US06352636B1
    公开(公告)日:2002-03-05
    An electrochemical stripping process is described that strips at least one metallic coating from a substrate. Due to the electrochemical selectivity of the disclosed process, the parent alloy is minimally affected by the electrochemical stripping process. The process comprises providing an electrolyte; disposing the coated articles and at least one electrode in the electrolyte; applying a current between the electrode and the coated articles, and removing the at least one coating from the coated articles without modifying the parent alloy. The system for the electrochemical stripping process comprises an electrolyte; a direct current source; and plurality of electrodes from which a direct current may be directed to the article being stripped. The direct current source is capable of being connected to the coated articles and the plurality of electrodes. The system permits removal of the at least one coating from the parent alloy.
    描述了一种电化学剥离过程,用于从基材上剥离至少一种金属涂层。由于所披露的过程的电化学选择性,母合金受电化学剥离过程的影响最小。该过程包括提供电解质;将涂层物品和至少一个电极放置在电解质中;在电极和涂层物品之间施加电流,并从涂层物品中去除至少一层涂层,而不改变母合金。该电化学剥离过程的系统包括电解质;直流电源;以及多个电极,可以将直流电流引导到被剥离的物品上。直流电源能够连接到涂层物品和多个电极。该系统允许从母合金中去除至少一层涂层。
  • GENERALLY SPHERICAL BARIUM CARBONATE PARTICLES, AND METHOD FOR PRODUCING GENERALLY SPHERICAL BARIUM CARBONATE PARTICLES
    申请人:Shimizu Yusuke
    公开号:US20120045381A1
    公开(公告)日:2012-02-23
    The present invention has an object to provide a method for producing particulate barium carbonate having desired properties such as high purity, fineness, and has a spherical shape. The present invention relates to a method of producing substantially spherical barium carbonate, including (A) mixing, in an aqueous medium, a barium compound with at least one first ingredient selected from the group consisting of gluconic acid or salts thereof, gluconolactone, glucoheptonic acid or salts thereof, and glucoheptonolactone, to prepare a mixture; and (B) reacting the barium compound with carbon dioxide or a water-soluble carbonate in the mixture, to produce substantially spherical barium carbonate.
    本发明的目的是提供一种生产具有高纯度、细度和球形形状等所需特性的颗粒状碳酸钡的方法。本发明涉及一种生产基本球形碳酸钡的方法,包括(A)在水介质中混合一种钡化合物和至少一种选自葡萄糖酸或其盐、葡萄糖内酯、葡萄糖庚酸或其盐和葡萄糖庚内酯的第一成分,以制备混合物;和(B)在混合物中将钡化合物与二氧化碳或水溶性碳酸盐反应,以生产基本球形的碳酸钡。
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