Chemistry Central Journal volume 3, Article number: P70 (2009)
More than 50 million compounds with molecular structures are known today. Reliable hazard information is available for only a few thousand of them. Nevertheless, laws and regulations can (and have to) be applied to all chemical substances used in a laboratory. For this purpose, a new web-based system [1] has been developed for the online evaluation of hazardous substances.
Using a web form which offers a structure editor, any given structure can be submitted to a SciDex-driven backend [2]. In the first step of evaluation, the backend runs a database query to a CLAKS-Database [3] with more than 140 000 known substances. If the substance is already known to the database, the backend returns the applicable danger symbols, R-and S-Phrases. If it is not found in the database, a substructure analysis according to several regulations will be done. Furthermore, relevant degradation compounds are calculated and analysed.
Relevant laws and regulations are e.g. European Hazard Law [4], the Chemical Weapons Convention [5], German law about narcotics [6], regulations about explosives [7] and lists of known poisons.
Scientific Data Explorer. [http://www.lci-publisher.com/scidex.html]
Chemikalien-Lager- und Kataster-System. [http://www.chemie.uni-hamburg.de/claks/index.html]
67/548/EEC, Amtsblatt der Europäischen Union Nr. 196. 1967, S. 1–98 and Updates
Chemical Weapons Convention. [http://www.opcw.org/chemical-weapons-convention/]
Betäubungsmittelgesetz , Bundesgesetzblatt I: 2007, S. 154
Sprengstoffgesetz , Bundesgesetzblatt I: 2006, S. 2407
Open Access This article is distributed under the terms of the Creative Commons Attribution 2.0 International License (https://creativecommons.org/licenses/by/2.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
Schmidt, C., Vill, V. An online-system for the evaluation of hazardous substances. Chemistry Central Journal 3 (Suppl 1), P70 (2009). https://doi.org/10.1186/1752-153X-3-S1-P70
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DOI: https://doi.org/10.1186/1752-153X-3-S1-P70