Cyclobutyl-methyl-ketone oxime, o-[(pentafluorophenyl)methyl]-

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Cyclobutyl-methyl-ketone oxime, o-[(pentafluorophenyl)methyl]-
• 英文别名: (E)-1-cyclobutyl-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]ethanimine
• 化学式: C₁₃H₁₂F₅NO
• 分子量: 293.236
• InChiKey: RXYUCGPJIKFGPN-KPSZGOFPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  21.6
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  环丁基甲基酮 、 O-(2,3,4,5,6-pentafluorobenzyl)hydroxylamine 生成 (Z)-1-cyclobutyl-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]ethanimine 、 Cyclobutyl-methyl-ketone oxime, o-[(pentafluorophenyl)methyl]-
  参考文献：
  名称：

  Identification of New Ozone Disinfection Byproducts in Drinking Water

  摘要：

  Using a combination of spectral identification techniques-gas chromatography coupled with low- and high-resolution electron-impact mass spectrometry (GC/EI-MS), low- and high-resolution chemical ionization mass spectrometry (GC/CI-MS), and infrared spectroscopy (GC/ IR)-we identified many drinking water disinfection byproducts (DBPs) formed by ozone and combinations of ozone with chlorine and chloramine. Many of these DBPs have not been previously reported. In addition to conventional XAD resin extraction, both pentafluorobenzyl-hydroxylamine (PFBHA) and methylation derivatizations were used to aid in identifying some of the more polar DBPs. Many of the byproducts identified were not present in spectral library databases. The vast majority of the ozone DBPs identified contained oxygen in their structures, with no halogenated DBPs observed except when chlorine or chloramine was applied as a secondary disinfectant. In comparing byproducts formed by secondary treatment of chlorine or chloramine, chloramine appeared to form the same types of halogenated DBPs as chlorine, but they were generally fewer in number and lower in concentration. Most of the halogenated DB Ps that were formed by ozone-chlorine and ozone-chloramine treatments were also observed in samples treated with chlorine or chloramine only. A few DBPs, however, were formed at higher levels in the ozone-chlorine and ozone-chloramine samples, indicating that the combination of ozone and chlorine or chloramine is important in their formation. These DBPs included dichloroacetaldehyde and 1,1-dichloropropanone.

  DOI：

  10.1021/es981218c

文献信息

• Identification of New Ozone Disinfection Byproducts in Drinking Water
  作者：Susan D. Richardson、Alfred D. Thruston、Tashia V. Caughran、Paul H. Chen、Timothy W. Collette、Terrance L. Floyd、Kathleen M. Schenck、Benjamin W. Lykins、Guang-ri Sun、George Majetich

  DOI：10.1021/es981218c

  日期：1999.10.1

  Using a combination of spectral identification techniques-gas chromatography coupled with low- and high-resolution electron-impact mass spectrometry (GC/EI-MS), low- and high-resolution chemical ionization mass spectrometry (GC/CI-MS), and infrared spectroscopy (GC/ IR)-we identified many drinking water disinfection byproducts (DBPs) formed by ozone and combinations of ozone with chlorine and chloramine. Many of these DBPs have not been previously reported. In addition to conventional XAD resin extraction, both pentafluorobenzyl-hydroxylamine (PFBHA) and methylation derivatizations were used to aid in identifying some of the more polar DBPs. Many of the byproducts identified were not present in spectral library databases. The vast majority of the ozone DBPs identified contained oxygen in their structures, with no halogenated DBPs observed except when chlorine or chloramine was applied as a secondary disinfectant. In comparing byproducts formed by secondary treatment of chlorine or chloramine, chloramine appeared to form the same types of halogenated DBPs as chlorine, but they were generally fewer in number and lower in concentration. Most of the halogenated DB Ps that were formed by ozone-chlorine and ozone-chloramine treatments were also observed in samples treated with chlorine or chloramine only. A few DBPs, however, were formed at higher levels in the ozone-chlorine and ozone-chloramine samples, indicating that the combination of ozone and chlorine or chloramine is important in their formation. These DBPs included dichloroacetaldehyde and 1,1-dichloropropanone.