焦磷酸铁钠 | 10213-96-4

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 过渡金属氧阴离子化合物
• 中文名称: 焦磷酸铁钠
• 中文别名: 吡喃磷酸铁钠
• 英文名称: sodium iron(III) pyrophosphate
• 英文别名: ferric sodium pyrophosphate；sodium;iron(3+);phosphonato phosphate
• CAS: 10213-96-4；10045-87-1
• 化学式: Fe*Na*O₇P₂
• 分子量: 252.78
• InChiKey: XWQGIDJIEPIQBD-UHFFFAOYSA-J

物化性质

• 颜色/状态：
  White powder
• 溶解度：
  Soluble in hydrochloric acid; insoluble in water
• 密度：
  Bulk density: 1.4-1.6

计算性质

• 辛醇/水分配系数(LogP)：
  -6.34
• 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：
  136
• 氢给体数：
  0
• 氢受体数：
  7

ADMET

毒理性

• 解毒与急救

基本治疗：建立专利气道。如有必要，进行吸痰。观察呼吸不足的迹象，如有必要，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。监测休克并视需要进行治疗……。对于眼睛污染，立即用水冲洗眼睛。在运输过程中，用生理盐水连续冲洗每只眼睛……。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。/铁及其相关化合物/

Basic treatment: Establish a patent airway. 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 shock and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline 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. /Iron and related compounds/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

高级治疗：对于失去意识的患者，考虑进行口咽或鼻咽气管插管以控制气道。监测心率和必要时治疗心律失常。开始静脉输液，使用乳酸钠林格氏液/生理盐水：为了保持开放，最低流量。注意液体过载的迹象。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。使用丙美卡因氢氯化物协助眼部冲洗。/铁及其相关化合物/

Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious. Monitor cardiac rhythm and treat arrhythmias if necessary ... . Start an IV with lactated Ringer's /SRP: "To keep open", minimal flow rate/. Watch for signs of fluid overload. For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Iron and related compounds/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

保持呼吸道畅通，必要时协助通气。积极使用静脉晶体液治疗由出血性胃肠炎引起的休克，并在需要时输血。由于胃肠道丢失和液体转移到肠壁和间质空间，患者常常出现明显的低血容量。如果出现昏迷、惊厥和代谢性酸中毒，则进行治疗。对于严重中毒的患者（例如，休克、严重酸中毒和/或血清铁> 500-600 mcg/dL），给予去铁胺。监测尿液，以发现特征性的橙红色去铁胺-铁复合物。当尿液恢复正常或血清铁水平降至正常范围时，可以停止治疗。长期使用去铁胺与成人呼吸窘迫综合征和耶尔森菌血症有关。

Maintain an open airway and assist ventilation if necessary. Treat shock caused by hemorrhagic gastrointestinitis aggressively with intravenous crystalloid fluids, and replace blood if needed. Patients are often markedly hypovolemic owing to gastrointestinal losses and third spacing of fluids into the intestinal wall and interstitial space. Treat coma, seizures, and metabolic acidosis if they occur. For seriously intoxicated victims (eg, shock, severe acidosis, and/or serum iron > 500-600 mcg/dL) administer deferoxamine. Monitor the urine for the urine for the characteristic orange or pink deferoxamine-iron complex. Therapy may be stopped when the urine returns to normal or when the serum iron level decreases to the normal range. Prolonged deferoxamine has been associated with adult respiratory distress syndrome and Yersinia sepsis.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

活性炭无效。不建议使用吐根糖浆，因为它可能加剧铁剂引起的胃肠道刺激，并干扰整个肠道冲洗。如果产品是液体配方或片剂被嚼碎，考虑洗胃。不要使用含磷酸盐的溶液进行灌洗；这可能导致生命威胁性的高钠血症、高磷血症和低钙血症。碳酸氢盐和去铁胺灌洗的效果值得怀疑。去铁胺灌洗无效，可能增强铁的吸收。整个肠道冲洗对于吞入的片剂非常有效，可以被视为一线治疗方法，特别是如果普通腹部X光片上可见大量片剂。大量摄入可能导致凝结物或团块。重复或长时间的整个肠道冲洗可能移除片剂。内窥镜检查或外科胃切开术很少需要。

Activated charcoal is not effective. Ipecac is not recommended, because it can aggravate iron-induced gastrointestinal irritation and interfere with whole bowel irrigation. Consider gastric lavage if product was a liquid formulation or tablets were chewed. Do-not use phosphate-containing solutions for lavage; these may result in life-threatening hypernatremia, hyperphosphatemia, and hypocalcemia. Bicarbonate and deferoxamine lavage are of doubtful efficacy. Deferoxamine lavage is not effective and may enhance iron absorption. Whole-bowel irrigation is very effective for ingested tablets and may be considered first-line treatment, especially if large numbers of tablets are visible on plain abdominal x-ray. Massive ingestions may lead to concretions or bezoars. Repeated or prolonged whole-bowel irrigation may remove tablets. Endoscopy or surgical gastrotomy is rarely required.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

血液透析和血液灌流对于去除铁无效，但可能需要去除肾衰竭患者中的铁-去铁胺复合物。交换输血偶尔用于大量儿童摄入，但其疗效值得怀疑。

Hemodialysis and hemoperfusion are not effective for removing iron but may be necessary to remove iron-deferoxamine complex in patients with renal failure. Exchange transfusion is occasionally used for massive pediatric ingestions but is of questionable efficacy.

来源:Hazardous Substances Data Bank (HSDB)

制备方法与用途

焦磷酸铁钠是一种有机金属盐类化合物，常被用作食品配方中的铁营养强化剂。

反应信息

• 作为反应物：
  描述：

  焦磷酸铁钠 以 not given 为溶剂， 生成 铁粉
  参考文献：
  名称：

  Ueber die Anwendung von pyrophosphorsauren Doppelsalzen zur Bestimmung und Trennung von Metallen durch Elektrolyse

  摘要：

  DOI：

  10.1007/bf01376048
• 作为产物：
  描述：

  以 neat (no solvent, solid phase) 为溶剂， 生成 iron(II) pyrophosphate 、 焦磷酸铁钠
  参考文献：
  名称：

  用于锂和钠充电电池的新型铁基混合聚阴离子阴极：结合第一性原理计算和实验研究

  摘要：

  合成了新的铁基混合聚阴离子化合物 Li(x)Na(4-x)Fe(3)(PO(4))(2)(P(2)O(7)) (x = 0-3) ，并确定了它们的晶体结构。新化合物包含由晶体中的 P(2)O(7) 支柱支持的三维 (3D) 钠/锂路径。第一性原理计算确定了复杂的 3D 路径及其激活障碍，并将它们显示为快速离子导体。在锂和钠电池中发现了可逆电极操作，每个铁原子的单电子反应容量分别为 140 和 129 mAh g(-1)。锂离子电池各相的氧化还原电位为~3.4 V（vs Li），钠离子电池为~3.2 V（vs Na）。高功率、体积变化小、热稳定性高的特性也得到了认可，

  DOI：

  10.1021/ja3038646

文献信息

• Crystal chemistry of the divalent cation in alluaudite-type phosphates: A structural and infrared spectral study of the Na1.5()1.5Fe1.5(PO4)3 solid solutions (x=0 to 1, M2+=Cd2+, Zn2+)
  作者：Frédéric Hatert

  DOI：10.1016/j.jssc.2008.02.035

  日期：2008.5

  the M(1) site for x=0.25 and 0.50, and then on the M(1) and M(2) sites for x=0.75 and 1.00. Small amounts of Cd2+ were also detected on the A(1) site, compensated by small amounts of Na+ occurring on M(1). This partially disordered distribution is probably due to the similar effective ionic radii of Cd2+ and Na+. The cationic distributions in the Na1.5(Mn1−xZnx2+)1.5Fe1.5(PO4)3 solid solution indicate

  通过在空气中进行固相反应合成Na 1.5（Mn 1- x M x 2+）1.5 Fe 1.5（PO 4）3（M 2+ = Cd 2 +，Zn 2+）钙铝石型固溶体的化合物，在800至900°C之间，并通过X射线粉末衍射和红外光谱进行了研究。Na 1.5（Mn 1- x Cd x 2+）1.5 Fe 1.5（PO 4）3的位点占用因子从X射线粉末图的Rietveld精炼获得的化合物表明，Cd 2+取代Mn 2+发生在x = 0.25和0.50的M（1）位置，然后在M（1 ）和M（2）个网站，其中x = 0.75和1.00。在A（1）站点上还检测到少量的Cd 2+，由在M（1）上出现的少量Na +所补偿。这种部分无序的分布可能是由于Cd 2+和Na +具有相似的有效离子半径。Na 1.5中的阳离子分布（Mn 1- x Zn x 2+）1.5 Fe 1.5（PO 4）3固溶体表明，首先在M（2）位置引入Zn
• Comparative structural study of mixed metals pyrophosphates
  作者：J. Belkouch、L. Monceaux、E. Bordes、P. Courtine

  DOI：10.1016/0025-5408(94)00128-6

  日期：1995.2

  Abstract Structural properties of AIMIIIP2O7-type diphosphates are compared. All compounds were prepared by a “wet” method. A comparative study of the three structural forms i.e. NaFeP2O7-I type (low temperature form), NaFeP2O7-II type (high temperature form) and LiFeP2O7 (structure III), is reported. X-ray diffraction and IR spectroscopy turn out to be the simplest methods to characterize the three

  摘要 比较了AIIIIIP2O7 型二磷酸盐的结构特性。所有化合物均通过“湿”法制备。报告了三种结构形式的比较研究，即 NaFeP2O7-I 型（低温形式）、NaFeP2O7-II 型（高温形式）和 LiFeP2O7（结构 III）。X 射线衍射和红外光谱是表征这三个结构族的最简单方法。特定晶胞体积与 (rAI)3 和 (rMIII)3 阳离子体积之间的线性相关性取决于结构类型和三价离子的性质。
• Crystal structures of new silver ion conductors Ag7Fe3(X2O7)4 (X = P, As)
  作者：Eric Quarez、Olivier Mentré、Yassine Oumellal、Christian Masquelier

  DOI：10.1039/b819846b

  日期：——

  The crystal structures of new Ag7Fe3(X2O7)4 (X = P, As) compounds, prepared through ion exchange from their sodium analogs, are reported. They adopt the monoclinic crystal system and exhibit an Ag ordering on cooling evidenced by a lowering of the symmetry from C-centered to primitive Bravais lattices. Crystal structures were determined from single-crystal X-ray diffraction at 100 K and 298 K for each composition. The structure consists of FeO6 octahedra sharing their corners with P2O7 dimers to form a three-dimensional framework [Fe3(P2O7)4]7− into which the silver ions are located. The differences between the four structures lie on the distribution of the silver ions within this framework, at the origin of a strong anisotropy in conductivity. Temperature displacement factors on Ag sites are generally higher in the arsenate than in the phosphate, in good correlation with conductivity data.

  报告了通过离子交换从钠类似物制备的新型 Ag7Fe3(X2O7)4 (X = P, As) 化合物的晶体结构。这些化合物采用单斜晶系，冷却时呈现出银有序性，其对称性从 C 心晶格降低到原始布拉维晶格。每种成分的晶体结构都是在 100 K 和 298 K 下通过单晶 X 射线衍射测定的。该结构由 FeO6 八面体与 P2O7 二聚体共角组成三维框架 [Fe3(P2O7)4]7-，银离子位于该框架中。四种结构之间的差异在于银离子在该框架中的分布，这也是导电性强各向异性的根源所在。砷酸盐结构中银离子位点的温度位移因子通常高于磷酸盐结构，这与电导率数据有很好的相关性。
• Crystal structures and sodium/silver distributions within the ionic conductors Na₅Ag₂Fe₃(As₂O₇)₄and Na₂Ag₅Fe₃(P₂O₇)₄
  作者：Eric Quarez、Olivier Mentré、Karim Djellab、Christian Masquelier

  DOI：10.1039/b9nj00355j

  日期：——

  The crystal structures of new Na5Ag2Fe3(As2O7)4 and Na2Ag5Fe3(P2O7)4 compounds, prepared through ion exchange from Na7Fe3(X2O7)4 (X = P, As) are reported. They crystallize in the monoclinic C2/c space group and exhibit a Na/Ag ordering on cooling. Crystal structures were determined from single crystal X-ray diffraction at 100 and 298 K for each composition. The structure consists of FeO6 octahedra

  通过Na 7 Fe 3（X 2 O 7）4的离子交换制备的新型Na 5 Ag 2 Fe 3（As 2 O 7）4和Na 2 Ag 5 Fe 3（P 2 O 7）4化合物的晶体结构。（X =P，作为）进行报告。它们在单斜C 2 / c空间群中结晶，并表现出Na /银订购冷却。对于每种组成，由在100和298 K的单晶X射线衍射确定晶体结构。该结构由FeO 6八面体与X 2 O 7二聚体共享其角（X =P，形成一个三维框架[Fe 3（X 2 O 7）4 ] 7−，钠/银离子位于其中。四种结构之间的差异在于钠/银离子在该框架内的分布，从而使人们对离子扩散路径有了更深入的了解。
• The pyrophosphate NaFeP2O7: A cage structure
  作者：M. Gabelica-Robert、M. Goreaud、Ph. Labbe、B. Raveau

  DOI：10.1016/0022-4596(82)90184-0

  日期：1982.12

  The high-temperature form of NaFeP2O7 crystallizes in the monoclinic P21c space group with a = 7.3244(13), b = 7.9045(7), c = 9.5745(15), Å, β = 111.858(13)°, and Z = 4. The structure has been refined from 3842 reflections leading to R = 0.040 and Rw = 0.047. The structure of II-NaFeP2O7 can be described by alternately stacking layers containing the FeO6 octahedra and layers formed by the P2O7 groups

  NaFeP 2 O 7的高温形式在单斜P21c空间群中结晶，其a = 7.3244（13），b = 7.9045（7），c = 9.5745（15），Å，β= 111.858（13）°和Z =4。已经从3842次反射中精炼了结构，导致R = 0.040和R w = 0.047。II-NaFeP 2 O 7的结构可以通过平行于（001）交替地堆叠包含FeO 6八面体的层和由P 2 O 7基团形成的层来描述。形成两个Na +的细长笼子离子位于。将其结构与KAlP 2 O 7进行比较。这两种结构。来自三个多面体，[FEP的块建立2 ö 11 ]或[磷化铝2 Ó 11 ]，包括一个小直径：辛O TET O辛角度。这些块的连接方式使得每种结构中都会出现几种类型的隧道。