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Dissociation constant

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Description of key information

Calculated pKa= 1.4 at 25°C

Key value for chemical safety assessment

Additional information

In consequence of the very low water solubility and the fact that an analytical method could not be developed to meet this low quantitation limit, the dissociation test could not be performed according to OECD guideline No.112. The pKa value has to be calculated instead.

The structure of test substance contains one ionisable NH-group and the pKa value has been calculated using 2 different recommended software programs SPARC and ACD/Labs. It can be concluded that the dissociation constant of test substance referred to SPARC was calculated to be pKa= 1.4 at 25°C