| 913819-30-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 913819-30-4
• 化学式: C₆H₆O₃P*C₆H₇O₃P*Tl
• 分子量: 519.562
• InChiKey: VGXFVFJZNXNZRK-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.03
• 重原子数：
  21.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  117.89
• 氢给体数：
  3.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  辛胺 、 以 正己烷 为溶剂， 生成
  参考文献：
  名称：

  Syntheses, Structure and Intercalation Properties of Low‐Dimensional Phenylphosphonates, A(HO ₃ PC ₆ H ₅ )(H ₂ O ₃ PC ₆ H ₅ ) (A = Alkali Metal, NH ₄ and Tl)

  摘要：

  AbstractSeven new low‐dimensional phenylphosphonates, A(HO3PC6H5)(H2O3PC6H5) [A = Li (1), Na (2), K (3), Rb (4), Cs (5), NH4 (6) and Tl (7)], have been synthesized and characterized by X‐ray diffraction, spectroscopic and thermal studies. They crystallize in triclinic unit cells with two formula units and have approximately planar arrangement of A+ ions, coordinated to oxygen atoms of phenylphosphonates, on both sides. Compounds 1 and 6 are one‐dimensional, whereas others are two‐dimensional. All of them undergo room‐temperature intercalation reactions with primary n‐alkylamines and ammonia. Single crystal X‐ray structures of compounds 1, 2 and 6 have been determined. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)

  DOI：

  10.1002/ejic.200500714
• 作为产物：
  描述：

  thallium(I) carbonate 、 苯膦酸 以 水 为溶剂， 以99%的产率得到
  参考文献：
  名称：

  Syntheses, Structure and Intercalation Properties of Low‐Dimensional Phenylphosphonates, A(HO ₃ PC ₆ H ₅ )(H ₂ O ₃ PC ₆ H ₅ ) (A = Alkali Metal, NH ₄ and Tl)

  摘要：

  AbstractSeven new low‐dimensional phenylphosphonates, A(HO3PC6H5)(H2O3PC6H5) [A = Li (1), Na (2), K (3), Rb (4), Cs (5), NH4 (6) and Tl (7)], have been synthesized and characterized by X‐ray diffraction, spectroscopic and thermal studies. They crystallize in triclinic unit cells with two formula units and have approximately planar arrangement of A+ ions, coordinated to oxygen atoms of phenylphosphonates, on both sides. Compounds 1 and 6 are one‐dimensional, whereas others are two‐dimensional. All of them undergo room‐temperature intercalation reactions with primary n‐alkylamines and ammonia. Single crystal X‐ray structures of compounds 1, 2 and 6 have been determined. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)

  DOI：

  10.1002/ejic.200500714

文献信息

• Monovalent metal phenylphosphonates and phenylarsonates: Single crystal X-ray structures of A(HO3PPh)(H2O3PPh) (A = K, Rb, Cs, Tl) and Na(HO3AsPh)(H2O3AsPh) and methylamine intercalation of A(HO3PPh)(H2O3PPh) (A = Li, Na, K, Tl)
  作者：Nitin Balkrushna Padalwar、Chekka Pandu、Kanamaluru Vidyasagar

  DOI：10.1016/j.jssc.2013.04.021

  日期：2013.7

  A(HO3PPh)(H2O3PPh) (A = K, Rb, Cs, Tl) phenylphosphonates and sodium phenylarsonate, Na(HO3AsPh)(H2O3AsPh) have been determined. This and previous studies together describe the four types of structures of a series of seven A(HO3PPh)(H2O3PPh) (A = Li, Na, K, Rb, Cs, Tl, NH4) phenylphosphonates. Sodium phenylarsonate is isostructural with its phenylphosphonate analogue. A(HO3PPh)(H2O3PPh) (A = Li, Na, K and Tl) compounds

  已知A（HO 3 PPh）（H 2 O 3 PPh）（A = K，Rb，Cs，Tl）苯基膦酸盐和苯磺酸钠，Na（HO 3 AsPh）（H 2 O 3 AsPh）的单晶X射线结构已经确定。该研究和以前的研究一起描述了一系列七个A（HO 3 PPh）（H 2 O 3 PPh）（A = Li，Na，K，Rb，Cs，Tl，NH 4）苯基膦酸酯的四种类型的结构。苯ar酸钠与苯膦酸酯类似物是同构的。A（HO 3 PPh）（高2 O 3 PPh）（A = Li，Na，K和Tl）化合物经过甲胺嵌入。