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EC number: 201-174-2
CAS number: 79-07-2
In the Klimisch 2 non-GLP study from Gries
(2012) the pKa-values of Chloroacetamide were calculated using the
online software tool SPARC(v4.6 (October 2011 release w4.6.1691
-s4.6.1687)). In the Guidance on information requirements Chapter R.7a:
Endpoint specific guidance (May 2008) section R.126.96.36.199 Evaluation of
available information on dissociation constant, page 176 it is stated
that " ... it is recommended that SPARC be used". Since an international
accepted QSAR tool was used this study was considered to be a Klimisch 2
study. The calculations were performed for 20°C.
The calculated pKa values were all far
out of the environmentally relevant range, i.e., -4.56, -2.43 and 13.27.
Therefore, these QSAR data are considered as acceptable for the further
assessment of the test substance without further testing.
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