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Hydrolysis

Hydrolysis of 7-[(E)-2-{4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-(carbamoylamino)phenyl}diazen-1-yl]naphthalene-1,3,6-trisulfonic acid (CAS no. 35642 -64 -9) is predicted using OECD QSAR toolbox version 3.4 (2017) with logKow as the primary descriptor. The estimated half-life of 7 -[(E)-2 -{4 -[(4 -amino-6 -chloro-1,3,5 -triazin-2 -yl)amino]-2 -(carbamoylamino) phenyl}diazen-1 -yl]naphthalene-1,3,6 -trisulfonic acid was estimated to be 85 days, indicating that it is not hydrolysable.

Additional information

Hydrolysis

Various predicted data for the target chemical 7-[(E)-2-{4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-(carbamoylamino)phenyl}diazen-1-yl]naphthalene-1,3,6-trisulfonic acid(CAS No. 35642-64-9) were reviewed for the hydrolysis end point which are summarized as below:

 

In a prediction done by SSS (2017) using OECD QSAR toolbox version 3.4 with logKow as the primary descriptor, hydrolysis of test chemical 7-[(E)-2-{4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-(carbamoylamino)phenyl}diazen-1-yl]naphthalene-1,3,6-trisulfonic acid (CAS No. 35642-64-9) is predicted. The estimated half-life of chemical 7-[(E)-2-{4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-(carbamoylamino)phenyl}diazen-1-yl]naphthalene-1,3,6-trisulfonic acidwas evaluated to be 85 days, indicating that it is not hydrolysable.

 

In an another prediction using the HYDROWIN v2.00 program of Estimation Programs Interface (EPI) Suite (2018), the hydrolysis half-life of test compound 7-[(E)-2-{4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-(carbamoylamino)phenyl}diazen-1-yl]naphthalene-1,3,6-trisulfonic acid(CAS No. 35642-64-9) was estimated. The estimated half-life of 7-[(E)-2-{4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-(carbamoylamino)phenyl}diazen-1-yl]naphthalene-1,3,6-trisulfonic acidwas evaluated to be greater than 1 year (at 25ᵒC) respectively, indicating that it is not hydrolysable.

 

On the basis of the above results for target chemical 7-[(E)-2-{4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-(carbamoylamino)phenyl}diazen-1-yl]naphthalene-1,3,6-trisulfonic acid (from OECD QSAR toolbox version 3.4, 2017 and EPI suite, 2018), it can be concluded that the target chemical 7-[(E)-2-{4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-(carbamoylamino)phenyl}diazen-1-yl]naphthalene-1,3,6-trisulfonic acid is not hydrolysable.