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EC number: 202-112-7
CAS number: 91-97-4
The water solubility was calculated
using WATERNT v1.01 as part of EPISuite v4.11 from US Environmental
Using WATERNT v1.01 the water
solubility of the test item was calculated to be 0.59408 mg/L at 25 °C
(EPI Suite, 2014).
The adequacy of a prediction depends
on the following conditions:
a) the (Q)SAR model is scientifically
valid: the scientific validity is established according to the OECD
principles for (Q)SAR validation;
b) the (Q)SAR model isapplicable to
thequery chemical: a (Q)SAR is applicable if the query chemical falls
within the defined applicability domain of the model;
c) the (Q)SAR result is reliable: a
valid (Q)SAR that is applied to a chemical falling within its
applicability domain provides a reliable result;
d) the (Q)SAR model isrelevant for
For assessment and jsutification of
these 4 requirements the QMRF and QPRF files were developed and attached
to this study record.
Description of the prediction
The prediction model was descripted
using the harmonised template for summarising and reporting key
information on (Q)SAR models. For more details please refer to the
attached QSAR Model Reporting Format (QMRF) file.
Assessment of estimation domain
The assessment of the estimation
domain was documented in the QSAR Prediction Reporting Format file
(QPRF). Please refer to the attached document for the details of the
prediction and the assessment of the estimation domain.
The water solubility of
3,3'-Dimethylbenzidine (TODA) was reported to be 1.3 g/L at 25 °C.
experimental determination of the water solubility of TODI is
technically not feasible, because of the very fast hydrolysis of the
For hypothetical / theoretical
considerations: The water solubility of TODI was calculated by EPISUITE
to be 0.59408 mg/L at 25°C.
Additionally, the water solubility of TODI's
hydrolysis degradation product 4,4'-bi-o-toluidine (TODA)
was reported to be 1.3 g/L at 25 °C.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
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