3,4-dichloro-[1,2,3,4,5,6-¹⁴C]aniline | 86241-08-9

• 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: 3,4-dichloro-[1,2,3,4,5,6-¹⁴C]aniline
• 英文别名: 3.4-Dichloranilin-；3,4-dichloro(1,2,3,4,5,6-14C6)cyclohexa-1,3,5-trien-1-amine
• CAS: 86241-08-9
• 化学式: C₆H₅Cl₂N
• 分子量: 173.952
• InChiKey: SDYWXFYBZPNOFX-YROCTSJKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3,4-dichloro-[1,2,3,4,5,6-¹⁴C]aniline 、 三氯苯 生成 1,2,3-trichloro-5-(3,4-dichloro(1,2,3,4,5,6-14C6)cyclohexa-1,3,5-trien-1-yl)benzene
  参考文献：
  名称：

  BERGMAN, AKE;NILSSON, ANDREAS;RIEGO, JUAN;ORN, ULRIKA, ACTA CHEM. SCAND., 44,(1990) N0, C. 1071-1076

  摘要：

  DOI：
• 作为产物：
  描述：

  [ring-U-¹⁴C]-diuron 在 soil inoculated with Arthrobacter sp. N₂ 作用下， 以 丙酮 为溶剂， 反应 2880.0h， 生成 二氧化碳-14C 、 3,4-dichloro-[1,2,3,4,5,6-¹⁴C]aniline
  参考文献：
  名称：

  Enhanced Mineralization of Diuron Using a Cyclodextrin-Based Bioremediation Technology

  摘要：

  The phenylurea herbicide diuron [N-(3,4-dichlorophenyl)-N,N-dimethylurea] is widely used in a broad range of herbicide formulations and, consequently, it is frequently detected as a major soil and water contaminant in areas where there is extensive use. Diuron has the unfortunate combination of being strongly adsorbed by soil organic matter particles and, hence, slowly degraded in the environment due to its reduced bioavailability. N-Phenylurea herbicides seem to be biodegraded in soil, but it must be kept in mind that this biotic or abiotic degradation could lead to accumulation of very toxic derived compounds, : such as 3,4-dichloroaniline. Research was conducted to find procedures that might result in an increase in the bioavailability of diuron in contaminated soils, through solubility enhancement. For this purpose a double system composed of hydroxypropyl-beta-cyclodextrin (HPBCD), which is capable of forming inclusion complexes in solution, and a two-member bacterial consortium formed by the diuron-degrading Arthrobacter sulfonivorans (Arthrobacter sp. N2) and the linuron-degrading Variovorax soli (Variovorax sp. SRS16) was used. This consortium can achieve a complete biodegradation of diuron to CO2 with regard to that observed in the absence of the CD solution, where only a 45% biodegradation was observed. The cyclodextrin-based bioremediation technology here described shows for the first time an almost complete mineralization of diuron in a soil system, in contrast to previous incomplete mineralization based on single or consortium bacterial degradation.

  DOI：

  10.1021/jf3021909

文献信息

• BERGMAN, A.;BAMFORD, I.;WACHTMEISTER, C. A., J. LABELLED COMPOUNDS AND RADIOPHARM., 1981, 18, N 7, 1023-1032
  作者：BERGMAN, A.、BAMFORD, I.、WACHTMEISTER, C. A.

  DOI：——

  日期：——
• BERGMAN, A. L.;BAKKE, J. E.;BRANDT, I., SYNTH. AND APPL. ISOT. LABELED COMPOUNDS. PROC. INT. SYMP., KANSAS CITY, +
  作者：BERGMAN, A. L.、BAKKE, J. E.、BRANDT, I.

  DOI：——

  日期：——