1,2,3,4-四氯二苯并噻吩 | 134705-57-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 中文名称: 1,2,3,4-四氯二苯并噻吩
• 英文名称: 1,2,3,4-tetrachlorodibenzothiophene
• CAS: 134705-57-0
• 化学式: C₁₂H₄Cl₄S
• 分子量: 322.042
• InChiKey: FQEDDDXPRXKXKN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  28.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  二苯并噻吩 在 磺酰氯 作用下， 以 various solvent(s) 为溶剂， 反应 4.0h， 生成 2,8-dichlorodibenzo[b,d]thiophene 、 1,4,8-trichlorodibenzothiophene 、 2,3,8-trichlorodibenzothiophene 、 1,2,3,4-四氯二苯并噻吩
  参考文献：
  名称：

  Identification and level estimation of chlorinated neutral aromatic sulfur compounds and their alkylated derivatives in pulp mill effluents and sediments

  摘要：

  Seven effluent samples from a modern pulp mill, in which chlorine and chlorine dioxide bleaching is used, and five sediment samples from the recipient watercourse were investigated for polychlorinated dibenzothiophenes (PCDBTs), polychlorinated thianthrenes (PCTAs), polychlorinated diphenylsulfides (PCDPSs) and for alkylated derivatives of these. Mainly di-, tri-, tetra- and pentachlorinated congeners were studied. Particles and filtrates from the effluents were analyzed separately. The concentration levels of the nonalkylated compounds were found to be higher in the filtrates than in the particles. Trichlorinated dibenzothiophenes and thianthrenes were found as the major congeners. Pentachlorinated derivatives were not found. Alkylated di- and trichlorodibenzothiophenes were detected in some samples, while alkylated chlorinated thianthrenes and diphenylsulfides were nondetectable. The estimated concentration levels of the compounds detected were in the range of 40-2700 pg/L in the pulp mill effluents and in the range of 2-40 pg/g dry weight in the sediments. Mixtures of methylated di- and trichlorodibenzothiophenes used as references in analyses were prepared from methylchlorobiphenyls. Some new pure model compounds were obtained by HPLC fractionation of the chlorination mixture of dibenzothiophene. Structures of these were determined by H-1 NMR.

  DOI：

  10.1016/0045-6535(94)90175-9