sodium cyanobis(trihydroborate) | 29012-61-1

• 英文名称: sodium cyanobis(trihydroborate)
• CAS: 29012-61-1
• 化学式: CH₆B₂N*Na
• 分子量: 76.6771
• InChiKey: BMAXGBRKLXWXIV-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

• 作为产物：
  描述：

  氢氰酸 、 sodium tetrahydroborate 以 四氢呋喃 为溶剂， 以0%的产率得到sodium cyanoborohydride
  参考文献：
  名称：

  On the existence of isocyanotrihydroborate

  摘要：

  It has been proved on the basis of IR, B-11 NMR and C-13 NMR investigations that the reaction of NaBH4 and HCN in THF does not give rise to NaBH3NC as reported earlier, but NaBH3CN, NaBH3CNBH3 and NaCN are the products. Assumption of the formation of NaBH3NC was due to misinterpretation of the IR and B-11 NMR spectral data: the nu(CN) band of NaCN and the chemical shift (delta) value of the boron atom attached to nitrogen in NaBH3CNBH3 were mistakenly assigned to those of NaBH3NC. According to the measured kinetic data and time course of change of the product ratio, a new modified mechanism of the reaction is suggested. The results of the B-11 NMR studies led to the detection of the formation of HNCBH3 and HCNBH3, in the equilibrium reaction between NaBH3CNBH3 and HCN.

  DOI：

  10.1016/s0277-5387(00)88147-4