3,4-二氯苯胺-ul-14C | 89059-40-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3,4-二氯苯胺-ul-14C
• 英文名称: <(13)C6> 3,4-dichloroaniline
• 英文别名: 3,4-Dichloroaniline-13C6；3,4-dichloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-amine
• CAS: 89059-40-5
• 化学式: C₆H₅Cl₂N
• 分子量: 167.952
• InChiKey: SDYWXFYBZPNOFX-IDEBNGHGSA-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

安全信息

• 危险品标志：
  N,T
• 安全说明：
  S28,S36/37,S45,S60,S61
• 危险类别码：
  R23/24/25,R33,R50/53

反应信息

• 作为反应物：
  描述：

  3,4-二氯苯胺-ul-14C 在 manganese(IV) oxide 作用下， 以 二氯甲烷 为溶剂， 生成 <(13)C12> 3,3',4,4'-tetrachloroazobenzene
  参考文献：
  名称：

  Determination of 3,3′,4,4′-tetrachloroazobenzene in water by isotope dilution gas chromatography/high resolution mass spectrometry

  摘要：

  A methodology, based on gas chromatography/high resolution mass spectrometry selected ion monitoring (GC/HRMS SIM) has been developed for the determination of 3,3',4,4'-tetrachloro-azobenzene (TCAB), a potential carcinogen, in water. As internal standard we prepared [C-13(12)] labelled TCAB, from [C-13(6)] labelled benzene. TCAB was extracted from water by hexane followed by a cleanup column chromatography over basic alumina. Recoveries of TCAB range from 80.0 - 88.3%. The detection limit of TCAB is about 50 fg of TCAB or 5 ppq in 1,000 mL of water.

  DOI：

  10.1016/0045-6535(94)00378-8
• 作为产物：
  描述：

  <(13)C6> 3,4-dichloronitrobenzene 在 tin(ll) chloride 作用下， 以 乙醇 为溶剂， 以100%的产率得到3,4-二氯苯胺-ul-14C
  参考文献：
  名称：

  The synthesis of [13C6]N-(3,4-dichlorophenyl)-2,2-dimethylpropanamide

  摘要：

  DOI：

  10.1002/jlcr.1226

文献信息

• Determination of 3,3′,4,4′-tetrachloroazobenzene in water by isotope dilution gas chromatography/high resolution mass spectrometry
  作者：Serge Schneider、Shunji Hashimoto、Takashi Yamamoto、Masatoshi Morita

  DOI：10.1016/0045-6535(94)00378-8

  日期：1995.1

  A methodology, based on gas chromatography/high resolution mass spectrometry selected ion monitoring (GC/HRMS SIM) has been developed for the determination of 3,3',4,4'-tetrachloro-azobenzene (TCAB), a potential carcinogen, in water. As internal standard we prepared [C-13(12)] labelled TCAB, from [C-13(6)] labelled benzene. TCAB was extracted from water by hexane followed by a cleanup column chromatography over basic alumina. Recoveries of TCAB range from 80.0 - 88.3%. The detection limit of TCAB is about 50 fg of TCAB or 5 ppq in 1,000 mL of water.
• The synthesis of [13C6]N-(3,4-dichlorophenyl)-2,2-dimethylpropanamide
  作者：Kenneth W. M. Lawrie

  DOI：10.1002/jlcr.1226

  日期：2007.4