(n-Bu4N)2B9H9 | 68380-71-2

• 英文名称: (n-Bu4N)2B9H9
• CAS: 68380-71-2
• 化学式: B₉H₉*2C₁₆H₃₆N
• 分子量: 591.308
• InChiKey: KPQDXALDPCTHGX-UHFFFAOYSA-N

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

• 作为反应物：
  描述：

  (n-Bu4N)2B9H9 在 SO₂Cl₂ 作用下， 以 二氯甲烷 为溶剂， 以33%的产率得到nonachlorononaborane(9)
  参考文献：
  名称：

  Boron halide clusters and radicals: synthesis and interconversions of the three oxidation states of a nine-boron polyhedron

  摘要：

  DOI：

  10.1021/ic50204a033
• 作为产物：
  描述：

  、 四丁基硫酸氢铵 以 sodium hydroxide 为溶剂， 以100%的产率得到(n-Bu4N)2B9H9
  参考文献：
  名称：

  Syntheses and Crystal Structures of the closo-Borates M₂[B₇H₇] and M[B₇H₈] (M = PPh₄, PNP, and N(n-Bu₄)): the Missing Crystal Structure in the Series [B_nH_n]²⁻ (n = 6−12)

  摘要：

  Oxidation of [N(n-Bu-4)](2)[B9H9] with oxygen in a mixture of dimethoxyethane and CH2Cl2 leads to salts of the [B7H7](2-) dianion. This is the first convenient synthesis for a seven-vertex hydro-closo-borate anion. Protonation with NEt3 center dot HCl resulted in salts of the [B7H8](-) monoanion. Both closo-borate anions were isolated and characterized by H-1, H-1{B-11}, B-11, and B-11{H-1} NMR spectroscopy. The temperature-dependent H-1{B-11}, B-11, and B-11{H-1} NMR spectra of [B7H8](-) were also measured. The structure of [B7H7](2-) as well as of [B7H8](-) were determined by single-crystal X-ray diffraction.

  DOI：

  10.1021/ic102434t