indium(III) bromide bis(tetrahydrofurane) | 341522-13-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧唑烯
• 英文名称: indium(III) bromide bis(tetrahydrofurane)
• 英文别名: oxolane;tribromoindigane
• CAS: 341522-13-2
• 化学式: C₈H₁₆Br₃InO₂
• 分子量: 498.746
• InChiKey: BNQHAFIRGCCXNG-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  四氢呋喃 、 溴化铟(III) 以 甲苯 为溶剂， 生成 indium(III) bromide bis(tetrahydrofurane)
  参考文献：
  名称：

  Adducts of indium(III) bromide: synthesis and structural characterisation of [InBr3(THF)2], [InBr3(DMF)3], [InBr3(Me3[9]aneN3)] and [InBr3({–N(Me)–CH2–}3)]

  摘要：

  Treatment of InBr3 with THF gives InBr3(THF)(2). A crystal structure determination (X-ray diffraction) reveals that the five co-ordinate metal centre adopts a trigonal bipyramidal geometry with the three halogen atoms in the equatorial plane and the two THF ligands in axial positions. Cremer-Pople ring puckering analysis reveals one THF ligand in a twist conformation and the other in an envelope arrangement in each molecule. The reaction of InBr3 with DMF in hexane gives InBr3(DMF)(3) identified (spectroscopic and X-ray diffraction) as the six co-ordinate fac-octahedral isomer. Treatment (1:1 in acetonitrile) of InBr3 with 1,4,7-trimethyl-1,4,7-triazacyclononane gives InBr3(Me-3[9]aneN(3)) in which the anticipated facial co-ordination of the terdentate ligand results in a distorted octahedral geometry at the metal centre as confirmed by X-ray diffraction. Similar treatment of InBr3 with 1,3,5-trimethyl-1,3,5-triazacyclohexane gives InBr3({-N(Me)-CH2-)(3)) as Verified by spectroscopic analyses and an X-ray diffraction study. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0277-5387(00)00641-0