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ammonium bifluoride

中文名称
——
中文别名
——
英文名称
ammonium bifluoride
英文别名
ammonium hydrogen fluoride;ammonium hydrogen difluoride;ammonium hydrogen difluorid;ammonium hydrofluoride;ammonium hydrodifluoride;Azanium;hydron;difluoride
ammonium bifluoride化学式
CAS
——
化学式
FH*F*H4N
mdl
——
分子量
57.0432
InChiKey
KVBCYCWRDBDGBG-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):
    -2.47
  • 重原子数:
    3
  • 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:
    2
  • 氢受体数:
    2

ADMET

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
  • 解毒与急救
保持呼吸道通畅,必要时协助通气。至少监测4到6小时的ECG和血清钙、镁、钾。如果患者出现ECG或电解质异常症状,将其收入重症监护病房。当出现临床显著的低钙血症时,给予静脉注射葡萄糖酸钙...并监测离子钙水平,根据需要进一步调整剂量。用静脉硫酸镁治疗低镁血症...。用静脉钙和其他常规措施治疗低钾血症。不要诱导呕吐,因为存在突然发作癫痫和心律失常的风险。口服含钙的抗酸剂(例如,碳酸钙)以提高胃pH值并复合游离氟,减少吸收。富含钙的食物(如牛奶)也可以结合氟。还推荐含有镁的抗酸剂,但对它们的有效性的数据很少。...对于最近的大量摄入,考虑洗胃。活性炭不吸收氟,不太可能有效。由于氟迅速结合游离钙和骨骼,并且消除半衰期短,血液透析不太可能有效。
Maintain an open airway and assist ventilation if necessary. Monitor ECG and serum calcium, magnesium, and potassium for at least 4 to 6 hours. Admit symptomatic patients with ECG or electrolyte abnormalities to an intensive care setting. When clinically significant hypocalcemia is present, administer intravenous calcium gluconate ... and monitor ionized calcium levels and titrate further doses as needed. Treat hypomagnesemia with intravenous magnesium sulfate... . Treat hypokalemia with intravenous calcium and other usual measures. Do not induce vomiting because of the risk of abrupt onset of seizures and arrhythmias. Administer an antacid containing calcium (eg, calcium carbonate) orally to raise gastric pH and complex free fluoride, reducing absorption. Foods rich in calcium (eg, milk) can also bind fluoride. Magnesium-containing antacids have also been recommended but there are little data for their effectiveness. ... Consider gastric lavage for recent large ingestions. Activated charcoal does not absorb fluoride and is not likely to be beneficial. Because fluoride rapidly binds to free calcium and bone and has a short elimination half-life, hemodialysis is not likely to be effective.
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(如有需要,使用口咽或鼻咽气道)。必要时进行抽吸。观察呼吸不足的迹象,并在必要时协助通气。通过非循环呼吸面罩以10至15升/分钟的速度给予氧气。监测肺水肿并视必要予以治疗……。监测休克并视必要予以治疗……。预见并治疗癫痫发作……。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……。在去污染后,用干燥的灭菌敷料覆盖皮肤烧伤……。/氟及其相关化合物/
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 adn 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. ... . Cover skin burns with dry sterile dressings after decontamination ... . /Fluorine and related compounds/
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 解毒与急救
高级治疗:对于昏迷、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。考虑对肺水肿进行药物治疗...。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”,最低流速/。如果出现低血容量的迹象,使用0.9%盐水(NS)或乳酸林格氏液(LR)。对于伴有低血容量迹象的低血压,谨慎给予液体。如果病人在正常液体量时仍出现低血压,考虑使用血管加压药。注意液体过载的迹象...。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...。/氟及其相关化合物/
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 if 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. Consider vasopressors if patient is hypotensive with a normal fluid volume. Watch for signs of fluid overload ... . Treat seizures with diazepam or lorazepam ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Fluorine and related compounds/
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 人类毒性摘录
/症状和体征/ 大多数关于氟化物的毒性信息都与氢氟酸("HF")的急性毒性有关。然而,其他可溶于水的含氟化合物也可能导致氟化物中毒。氟离子几乎立即被全身吸收。它具有高度的渗透性和反应性,可以导致全身中毒和组织破坏。一旦氟离子从氢氟酸或氟盐中分离出来,它们会深入组织,导致比原始接触部位更深的地方出现灼烧感。组织破坏的过程可能持续数天。氟化物吸收可能导致高钾血症(血清钾升高)、低钙血症(血清钙降低)、低镁血症(血清镁降低)以及代谢性和呼吸性酸中毒。这些紊乱可能导致心脏心律失常、呼吸刺激后继发的呼吸抑制、肌肉痉挛、惊厥、中枢神经系统("CNS")抑制、可能的呼吸麻痹或心脏衰竭,甚至死亡。氟化物还可能抑制细胞呼吸和糖酵解,改变膜通透性和兴奋性,并导致神经毒性和不良的胃肠道影响。当通过吸入暴露时,氟化物可能对呼吸系统造成严重的化学烧伤。吸入可能导致呼吸困难(呼吸困难)、支气管痉挛、化学性肺炎、肺水肿、气道阻塞和气管支气管炎。通过皮肤吸收导致的烧伤严重程度取决于氟化物的浓度、暴露持续时间、暴露表面积以及暴露组织的渗透性。眼睛暴露可能导致严重的眼部伤害。摄入氟化物可能导致轻度到重度的胃肠道症状。报告表明,每公斤体重摄入3到5毫克的氟化物会导致呕吐、腹泻和腹痛。摄入超过5毫克/公斤可能会产生全身毒性。一项回顾性毒物控制中心研究氟化物摄入的报告显示,摄入4到8.4毫克/公斤氟化物后,主要出现了在24小时内趋于缓解的安全耐受性胃肠道症状。
/SIGNS AND SYMPTOMS/ Most available toxicity information on fluoride relates to acute toxicity of hydrofluoric acid (''HF''). However, other water soluble fluoride-containing compounds can cause fluoride poisoning. The fluoride ion is systemically absorbed almost immediately. It is highly penetrating and reactive and can cause both systemic poisoning and tissue destruction. Fluoride ions, once separated from either HF or fluoride salts, penetrate deep into tissues, causing burning at sites deeper than the original exposure site. The process of tissue destruction can continue for days. Fluoride absorption can produce hyperkalemia (elevated serum potassium), hypocalcemia (lowered serum calcium), hypomagnesemia (lowered serum magnesium), and metabolic and respiratory acidosis. These disturbances can then bring on cardiac arrhythmia, respiratory stimulation followed by respiratory depression, muscle spasms, convulsions, central nervous system (''CNS'') depression, possible respiratory paralysis or cardiac failure, and death. Fluoride may also inhibit cellular respiration and glycolysis, alter membrane permeability and excitability, and cause neurotoxic and adverse GI effects. When exposure is through inhalation, fluorides can cause severe chemical burns to the respiratory system. Inhalation can result in difficulty breathing (dyspnea), bronchospasms, chemical pneumonitis, pulmonary edema, airway obstruction, and tracheobronchitis. The severity of burns from dermal absorption can vary depending on the concentration of fluoride available, duration of the exposure, the surface area exposed, and the penetrability of the exposed tissue. Ocular exposure can result in serious eye injury. Ingestion of fluoride can result in mild to severe GI symptoms. Reports suggest that ingesting 3 to 5 milligrams of fluoride per kilogram of body weight (mg/kg) causes vomiting, diarrhea, and abdominal pain. Ingestion of more than 5 mg/kg may produce systemic toxicity. A retrospective poison control center study of fluoride ingestions reported that symptoms, primarily safely tolerated GI symptoms that tended to resolve within 24 hours, developed following ingestions of 4 to 8.4 mg/kg of fluoride.
来源:Hazardous Substances Data Bank (HSDB)
吸收、分配和排泄
氟化物从胃肠道、肺和皮肤被吸收。胃肠道是吸收的主要部位。相对溶解的化合物,如氟化钠,几乎被完全吸收...在检查的所有器官和组织中都检测到了氟化物...没有证据表明除了骨骼、甲状腺、主动脉和可能的肾脏外,它会在任何组织中浓缩。氟化物主要沉积在骨骼和牙齿中,骨骼储存的程度与摄入量和年龄有关...骨骼成分的周转率的一个功能,生长中的骨骼比成熟动物骨骼显示出更多的氟化物沉积...主要的排泄途径是通过肾脏...也通过汗腺、哺乳期的乳腺和胃肠道以少量排出...大约90%的由肾小球过滤的氟离子被肾小管重吸收。/氟化物盐/
Fluorides are absorbed from GI tract, lung, & skin. GI tract is major site of absorption. The relatively sol cmpd, such as sodium fluoride, are almost completely absorbed ... Fluoride has been detected in all organs & tissues examined ... There is no evidence that it is concentrated in any tissues except bone, thyroid, aorta, & perhaps kidney. Fluoride is preponderantly deposited in the skeleton & teeth, & the degree of skeletal storage is related to intake and age. ... A function of the turnover rate of skeletal components, with growing bone showing greater fluoride deposition than bone in mature animals. ... Major route of ... excretion is by way of kidneys ... also excreted in small amt by sweat glands, lactating breast, & GI tract. ... About 90% of fluoride ion filtered by glomerulus is reabsorbed by renal tubules. /Fluoride salts/
来源:Hazardous Substances Data Bank (HSDB)
吸收、分配和排泄
在雌性大鼠中,年轻大鼠的骨骼显然比老年大鼠更有效地从循环中去除氟化物。/氟化钠/
In female rats, the skeletons of younger rats apparently are more efficient at removing fluoride from circulation than are those of older rats. /Sodium fluoride/
来源:Hazardous Substances Data Bank (HSDB)
吸收、分配和排泄
摄入后,可溶性氟化物从胃肠道迅速吸收,至少达到97%。被吸收的氟化物通过血液分布到全身的组织中。软组织中的氟化物浓度在接触后几小时内降至接触前的水平。氟化物与羟基磷灰石(骨骼的无机成分)的羟基自由基交换,形成氟羟基磷灰石。未被保留的氟化物会迅速通过尿液排出。在成人稳态摄入条件下,尿液中氟化物的浓度倾向于接近饮用水中氟化物的浓度。这反映了随着年龄增长,氟化物(主要在骨骼中)的保留量减少。在某些条件下,出汗可能是氟化物排泄的重要途径。骨骼和牙齿中保留的氟化物浓度是摄入氟化物浓度和暴露时间的函数。过量氟化物暴露的时期将导致骨骼中保留量增加。然而,当过量的暴露消除后,骨骼中的氟化物浓度将降低到一个再次反映摄入量的浓度。/氟化物盐/
Following ingestion, soluble fluorides are rapidly absorbed from the gastrointestinal tract at least to the extent of 97%. Absorbed fluoride is distributed throughout the tissues of the body by the blood. Fluoride concentrations is soft tissues fall to pre-exposure levels within a few hours of exposure. Fluoride exchanges with hydroxyl radicals of hydroxyapatite (the inorganic constituent of bone) to form fluorohydroxyapatite. Fluoride that is not retained is excreted rapidly in urine. In adults under steady state intake conditions, the urinary concentration of fluoride tends to approximate the concentration of fluoride in the drinking water. This reflects the decreasing retention of fluoride (primarily in bone) with increasing age. Under certain conditions perspiraton may be an important route of fluoride excretion. The concentration of fluoride retained in bones and teeth is a function of both the concentration of fluoride intake and the duration of exposure. Periods of excessive fluoride exposure will result in increased retention in the bone. However, when the excessive exposure is eliminated, the bone fluoride concentration will decrease to a concentration that is again reflective of intake. /Fluoride salts/
来源:Hazardous Substances Data Bank (HSDB)
吸收、分配和排泄
氟化物化合物的吸收程度与其溶解度密切相关。/氟化物盐/
The degree of absorption of a fluoride compound is best correlated with its solubility. /Fluoride salts/
来源:Hazardous Substances Data Bank (HSDB)

反应信息

  • 作为反应物:
    描述:
    ammonium bifluoride 以 melt 为溶剂, 生成 二氟胺
    参考文献:
    名称:
    Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: F: SVol.1, 73, page 249 - 251
    摘要:
    DOI:
  • 作为产物:
    描述:
    参考文献:
    名称:
    TYAN, M. B.;SHAPIRO, L. D.;MOLDABEKOV, SH. M.;AGAFONOV, A. A., AKTUAL. VOPR. POLUCH. FOSFORA I SOED. HA EGO OSNOVE, M.,(1990) S. 6-14
    摘要:
    DOI:
  • 作为试剂:
    描述:
    5-((叔丁基二甲基甲硅烷基)氧基)戊醛正丁基锂 、 samarium diiodide 、 ammonium bifluoride碳酸氢钠戴斯-马丁氧化剂 作用下, 以 四氢呋喃N-甲基吡咯烷酮正己烷二氯甲烷N,N-二甲基甲酰胺 为溶剂, 反应 15.17h, 生成 (R)-(2-methyl-1,3-dioxolan-2-yl)((2S,4R,6S)-4-methyl-1,7-dioxaspiro[5.5]undecan-2-yl)methanol
    参考文献:
    名称:
    NH 4 HF 2作为选择性TBS去除剂,用于通过串联脱保护/旋合成法合成高度官能化的旋酮
    摘要:
    NH 4 HF 2首次用于在高度官能化的螺酮金属的合成中从二醇酮前体中选择性除去TBS保护基。这种方法可以合成[5,6],[6,6]和[6,7]螺酮骨架,以及保留了酸敏感基团的苯并环螺酮酮。以此方式,可以合成在骨架或侧链上具有不同取代基的螺缩酮。为了证明该方法的实用性,还研究了高度功能化的螺酮3f的各种转化。
    DOI:
    10.1021/jo402167q
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文献信息

  • [ReF<sub>6</sub>]<sup>2−</sup>: A Robust Module for the Design of Molecule-Based Magnetic Materials
    作者:Kasper S. Pedersen、Marc Sigrist、Mikkel A. Sørensen、Anne-Laure Barra、Thomas Weyhermüller、Stergios Piligkos、Christian Aa. Thuesen、Morten G. Vinum、Hannu Mutka、Høgni Weihe、Rodolphe Clérac、Jesper Bendix
    DOI:10.1002/anie.201309981
    日期:2014.1.27
    A facile synthesis of the [ReF6]2− ion and its use as a building block to synthesize magnetic systems are reported. Using dc and ac magnetic susceptibility measurements, INS and EPR spectroscopies, the magnetic properties of the isolated [ReF6]2− unit in (PPh4)2[ReF6]⋅2 H2O (1) have been fully studied including the slow relaxation of the magnetization observed below ca. 4 K. This slow dynamic is preserved
    报道了[ReF 6 ] 2-离子的简便合成及其作为合成磁性系统的基础材料的用途。使用dc和ac磁化率测量,INS和EPR光谱学,已对(PPh 4)2 [ReF 6 ]⋅2H 2 O(1)中分离的[ReF 6 ] 2−单元的磁性进行了全面研究,其中包括大约在10℃以下观察到磁化的缓慢弛豫。4K。对于一维配位聚合物[Zn (viz )4(ReF 6)] ∞(2,即1 =乙烯基咪唑),证明在具有易平面型各向异性的系统中,低对称性与此类磁化动力学无关。氟化物介导重要的交换相互作用的能力以同构结构[Ni(viz )4(ReF 6)] ∞(3)类似物为例,其中铁磁Ni II -Re IV相互作用(+10.8 cm -1)使偶联作用相形见war。存在于相关的氰化物桥接系统中。这些结果表明[ReF 6 ] 2−是用于设计基于分子的磁性材料的独特新模块。
  • Polymorphisme et étude magnétique des fluorures ternaires de palladium (II) PdMIVF6 (MIV  Zr, Sn, Hf)
    作者:N. Ruchaud、J. Grannec、A. Tressaud
    DOI:10.1016/0925-8388(94)90758-7
    日期:1994.3
    Abstract Palladium(II) fluorides with formula PdMIVF6 (MIV  Zr, Sn, Hf) exhibiting an ordered LiSbF6-type structure ( R 3 space group) were synthesized. A structural phase transition was detected using microdifferential thermal analysis, microcalorimetry and X-ray diffraction. The thermal dependence of the spontaneous strain was determined. A cubic Fm 3 m high-temperature form was characterized for
    摘要 合成了具有有序 LiSbF6 型结构(R 3 空间群)的氟化钯 (II),其分子式为 PdMIVF6 (MIV  Zr, Sn, Hf)。使用微差热分析、微量热法和 X 射线衍射检测结构相变。确定了自发应变的热依赖性。PdZrF6 和 PdHfF6 为立方 Fm 3 m 高温形式。三相表现出反铁磁行为。
  • VO2F(dmpz)2: a new catalyst for selective oxidation of organic sulfides to sulfoxides with H2O2
    作者:Sahid Hussain、Dhrubajyoti Talukdar、Saitanya K. Bharadwaj、Mihir K. Chaudhuri
    DOI:10.1016/j.tetlet.2012.09.067
    日期:2012.11
    (dmpz = 3, 5 dimethyl pyrazole) is reported as recyclable catalyst for the selective oxidation of organic sulfides with H2O2 in CH3CN at sub-ambient temperature. [VO2F(dmpz)2]–H2O2 system chemoselectively oxidizes alkyl as well as aryl sulfides in the presence of oxidation prone functional groups such as CC, –CN, and –OH. Refractory sulfides (dibenzothiophenes) are also oxidized to sulfoxides.
    据报道,一种新开发并具有结构特征的钒配合物[VO 2 F(dmpz)2 ](dmpz = 3,5二甲基吡唑)是可循环利用的催化剂,用于在亚氯甲烷中用CH 3 CN中的H 2 O 2选择性氧化有机硫化物。环境温度。[VO 2 F(dmpz)2 ] –H 2 O 2系统在易氧化的官能团(例如C C,-CN和-OH)存在下,化学选择性地氧化烷基以及芳基硫化物。难熔硫化物(二苯并噻吩)也被氧化为亚砜。
  • Production of m-fluoroacetophenone
    申请人:Olin Corporation
    公开号:US04487969A1
    公开(公告)日:1984-12-11
    A process for the production of m-fluoroacetophenone comprises reacting m-aminoacetophenone with a diazotization agent in the presence of hydrogen fluoride. The diazonium fluoride compound produced is decomposed by heating to produce highly pure m-fluoroacetophenone in good yields.
    一种制备m-氟乙酰苯酮的方法包括在氢氟酸的存在下,将m-氨基苯乙酮与重氮化试剂反应。生成的重氮氟化物化合物通过加热分解,产生高纯度的m-氟乙酰苯酮,收率良好。
  • Process for manufacture of fluoroaromatics
    申请人:E. I. Du Pont De Nemours and Company
    公开号:US04912268A1
    公开(公告)日:1990-03-27
    Process which comprises feeding an aromatic amine in the presence of HF to a reaction zone simultaneously with a diazotizing agent so as to effect diazotization of the aromatic amine, thermally decomposing the resulting diazonium salt substantially as it is formed, and removing the resulting fluoroaromatic compound from the reaction zone substantially as it is formed. The amine and the diazotizing agent are fed to the reaction zone in such quantities and proportions that they are consumed substantially as fed so that no substantial concentration of either builds up in the reaction zone.
    该过程包括在HF存在下将芳香胺与重氮化试剂同时送入反应区,以实现芳香胺的重氮化,随即在重氮盐形成时进行热分解,并在重氮盐形成时将产生的氟芳基化合物从反应区中移除。胺和重氮化试剂以相应的数量和比例送入反应区,以便它们被消耗,因此在反应区中不会积聚任何实质性的浓度。
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
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ir
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  • 峰位数据
  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
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Assign
Shift(ppm)
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测试频率
样品用量
溶剂
溶剂用量
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