Mills Snell A, Thal David I, Barney Jonathan
Severn Trent Laboratories Inc, Knoxville, TN 37921, USA.
Chemosphere. 2007 Aug;68(9):1603-12. doi: 10.1016/j.chemosphere.2007.03.052. Epub 2007 May 11.
Primary publications of congener numbering shorthand systems for PCB congener identification were reviewed, including the original Ballschmiter-Zell (BZ) system; recommended changes by Schulte and Malisch, and Guitart et al.; and listings by the Chemical Abstracts Service. Comparisons of the various congener numbering shorthands and chlorine substitution numberings in the structural name listings are presented. Several changes, to adhere more closely to IUPAC rules, have been incorporated into the BZ structural nomenclature, and these resulted in renumbering congeners. These corrected listings have been erroneously identified as "IUPAC" numbers, a misnomer, because IUPAC has not published a shorthand system. Guitart pointed out additional inconsistencies with IUPAC rules for nine congeners which would result in further order changes, but did not recommend renumbering, to avoid further confusion. We noted an additional error in the structural name for congener 97, named 2,2',3',4,5 using Ballschmiter and Zell nomenclature and 2,2',3,4',5' using strict IUPAC nomenclature. This renaming would cause the renumbering of the IUPAC number system reported by Guitart for isomers 91 through 98. No further changes are recommended, however. Tables summarizing each publication, and the discrepancies between them are provided in hopes of clarifying the current state of the nomenclature.
对用于多氯联苯同系物识别的同系物编号速记系统的主要出版物进行了综述，包括原始的巴尔施米特-策尔（BZ）系统；舒尔特和马利施以及吉塔尔等人建议的更改；以及化学文摘社的列表。给出了结构名称列表中各种同系物编号速记法与氯取代编号的比较。为了更严格地遵循国际纯粹与应用化学联合会（IUPAC）规则，BZ结构命名法中纳入了一些更改，这些更改导致了同系物的重新编号。这些更正后的列表被错误地认定为“IUPAC”编号，这是一个误称，因为IUPAC尚未发布速记系统。吉塔尔指出了九个同系物与IUPAC规则的其他不一致之处，这将导致进一步的顺序变化，但为避免进一步混淆未建议重新编号。我们注意到同系物97的结构名称存在另一个错误，在巴尔施米特和策尔命名法中命名为2,2',3',4,5，在严格的IUPAC命名法中命名为2,2',3,4',5'。这种重新命名将导致吉塔尔报告的异构体91至98的IUPAC编号系统重新编号。不过，不建议进一步更改。提供了总结各出版物及其之间差异的表格，以期阐明当前的命名法状况。
