| 128802-12-0

• CAS: 128802-12-0
• 化学式: C₄H₁₂N*C₁₄H₈BO₆
• 分子量: 357.171
• InChiKey: VOSRBVDABLJNHH-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  以 neat (no solvent, solid phase) 为溶剂， 生成 boron trioxide
  参考文献：
  名称：

  Syntheses, structures and properties of three nonmetal borates with salicylic acid and organic amines

  摘要：

  Three new borates containing nonmetal compounds, [C4H12N][BO4(C(7)H4(O))(2)] (1), [C8H20N][BO4(C7H4O)2] (2) and [C6H18N2](0.5)[BO4(C7H4O)(2)] (3) have been prepared, aiming at the formation of extended supramolecular networks with organic-inorganic hybrid materials of salicylic acid and boric acid. The corresponding compounds have been characterized by chemical and spectroscopic techniques. X-ray diffraction analyses of available single crystals revealed that the molecular structures of the three compounds have the same isolated [BO4(C7H4O)(2)] anion. The [BO4(C7H4O)(2)] anion with a distorted BO4 tetrahedron is formed by bidentate coordination of the B atom to two salicylic acid molecules via the O atoms of the central carboxyl and alpha-hydroxyl groups. The three compounds display violet luminescence with emission maxima around 365 nm. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.06.010
• 作为产物：
  描述：

  硼酸 、 正丁胺 、 水杨酸 以 乙醇 、 水 为溶剂， 生成
  参考文献：
  名称：

  Syntheses, structures and properties of three nonmetal borates with salicylic acid and organic amines

  摘要：

  Three new borates containing nonmetal compounds, [C4H12N][BO4(C(7)H4(O))(2)] (1), [C8H20N][BO4(C7H4O)2] (2) and [C6H18N2](0.5)[BO4(C7H4O)(2)] (3) have been prepared, aiming at the formation of extended supramolecular networks with organic-inorganic hybrid materials of salicylic acid and boric acid. The corresponding compounds have been characterized by chemical and spectroscopic techniques. X-ray diffraction analyses of available single crystals revealed that the molecular structures of the three compounds have the same isolated [BO4(C7H4O)(2)] anion. The [BO4(C7H4O)(2)] anion with a distorted BO4 tetrahedron is formed by bidentate coordination of the B atom to two salicylic acid molecules via the O atoms of the central carboxyl and alpha-hydroxyl groups. The three compounds display violet luminescence with emission maxima around 365 nm. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.06.010