| 113648-10-5

• 分子结构分类: 有机化合物 - 有机金属化合物
• CAS: 113648-10-5
• 化学式: CH₃Be
• 分子量: 24.047
• InChiKey: NOOMEUBEZAIZLZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.32
• 重原子数：
  2.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  甲基铍氢化物 以 solid matrix 为溶剂， 生成 methylberyllium hydride 、 、 、 Dimethylberyllium
  参考文献：
  名称：

  A Matrix-Isolation and Density Functional Theory Study of the Reactions of Laser-Ablated Beryllium, Magnesium, and Calcium Atoms with Methane

  摘要：

  Beryllium atoms produced by laser ablation have been co-condensed with methane/argon mixtures onto a substrate at 10 K. Infrared spectroscopy has been used to identify a number of organoberyllium products, viz. CH3BeH, CH3BeCH3, CH3Be, H2CBeH, and HCBeH. Assignments of the infrared absorption bands are made on the basis of H-2 and C-13 substitution and by comparison with frequencies supplied by DFT calculations. In the reaction of magnesium or calcium atoms with methane, the only insertion product that could be identified was the monomethyl metal hydride, CH3MH (M = Mg or Ca).

  DOI：

  10.1021/ja9804870