title: Study on the structure and mutagenicity of a new disinfection byproduct in chlorinated drinking water.
abstract: The structure of a new chlorinated disinfection byproduct (DBP) in drinking water is studied. The new DBP was prepared through chlorinating its best precursor, and it was extracted and isolated from the chlorination products. Its structure is identified as 2,2,4-trichloro-5-methoxycyclopent-4-ene-1,3-dione (TCMCD) through FTIR, MS, 1H NMR, and 13C NMR spectroscopic analysis and single-crystal X-ray diffraction method. Results of the Ames test with tester strain TA100 indicated that the newly identified DBP TCMCD is a mutagen.
authors.affiliation: State Key Laboratory of Pollution Control and Resource Reuse, School of Environment, and Center of Materials Analysis, Nanjing University, Nanjing, 210093, P.R. China.
authors.forename: Huijuan
authors.initials: H
authors.lastname: Gong
authors.forename: Zhen
authors.initials: Z
authors.lastname: You
authors.forename: Qiming
authors.initials: Q
authors.lastname: Xian
authors.forename: Xing
authors.initials: X
authors.lastname: Shen
authors.forename: Huixian
authors.initials: H
authors.lastname: Zou
authors.forename: Fei
authors.initials: F
authors.lastname: Huan
authors.forename: Xu
authors.initials: X
authors.lastname: Xu
mesh_terms: D002247:Carbon Isotopes / Q000737:chemistry; D003517:Cyclopentanes / Q000737:chemistry / Q000302:isolation & purification*; D004203:Disinfection; D006843:Hydrocarbons, Chlorinated / Q000737:chemistry / Q000302:isolation & purification*; D009682:Magnetic Resonance Spectroscopy; D013058:Mass Spectrometry; D009152:Mutagenicity Tests; D017550:Spectroscopy, Fourier Transform Infrared; D014881:Water Supply / Q000032:analysis*; D014961:X-Ray Diffraction
chemical_list: C510750:2,2,4-trichloro-5-methoxycyclopent-4-ene-1,3-dione; D002247:Carbon Isotopes; D003517:Cyclopentanes; D006843:Hydrocarbons, Chlorinated