formyl-13C bromide | 133931-47-2

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 卤代醇
• 英文名称: formyl-13C bromide
• CAS: 133931-47-2
• 化学式: CHBrO
• 分子量: 109.911
• InChiKey: AIFARXRIYKCEEV-OUBTZVSYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.57
• 重原子数：
  3.0
• 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：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  甲醛-13C 、 alkaline earth salt of/the/ methylsulfuric acid 生成 formyl-13C bromide
  参考文献：
  名称：

  Kinetic and IR spectroscopic studies of formyl bromide (HCOBr) formed via the reaction formyl radical + bromide .fwdarw. HCOBr + atomic bromine

  摘要：

  An FTIR spectroscopic study of the visible photolysis of Br2-HCHO-N2 mixtures has shown that the major carbon-containing product is HCOBr, formed via Br + HCHO --> HCO + HBr followed by HCO + Br2 --> HCOBr --> Br. HCOBr was found to be highly susceptible to heterogeneous decomposition to CO + HBr. This photochemical method has been used for the quantitative in situ preparation of HCOBr and IR spectra have been obtained of the v1-v4 and v6 bands of HCOBr, DCOBr, and H13COBr. The spectra observed are consistent with a planar structure. HCOBr was also detected in the photolysis of Br2-C2H2-O2 mixtures and the kinetic analysis of its yield as a function of the C2H2 conversion has shown the rate constant for the Br + HCOBr reaction to be < 4 x 10(-14) cm3 molecule-1 s-1.

  DOI：

  10.1021/j100165a033