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Adsorption / desorption

The Soil Adsorption Coefficient i.e Koc value of test substance7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene- 1,3,6-trisulphonic acid(CAS no. 35642-64-9) was estimated using Adsorption Coefficient module (v12.1.0.50374) program as Koc 1.0 dimensionless (log Koc= 0). This log Koc value indicates that the test substance7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene- 1,3,6-trisulphonic acidhas a negligible sorption to soil and show rapid migration potential to groundwater.

Additional information

Adsorption / desorption

Various predicted data for the target compound 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) and supporting weight of evidence study for its functionally similar read across substance were reviewed for the adsorption end point which are summarized as below:

 

The Soil Adsorption Coefficient i.e Koc value of test substance 7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene- 1,3,6-trisulphonic acid (CAS no. 35642-64-9) was estimated using Adsorption Coefficient module (v12.1.0.50374) program as Koc 1.0 dimensionless (log Koc= 0) at pH range 0-14 respectively (ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017).

 

In an another prediction done by usingSciFinder database the soil adsorption co-efficient i.e.,  Koc value of test chemical 7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5- triazin- 2-yl) amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid (CAS no. 35642 -64 -9) was estimated to be 1.0 ( log Koc =0.0) at pH 1-10 at temperature 25 deg.C.

 

Additional soil adsorption coefficient i.e Koc value 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)was estimated using the ChemSpider Database (2017).The adsorption coefficient (Koc) value of substance 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 estimated to be 1 (Log Koc = 0) at pH 5.5 and 7.4, respectively.

 

For the read across chemical 1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-((4-sulfo-1-naphthalenyl)azo)-, trisodium salt (CAS no. 2611-82-7), adsorption study was conducted for estimating the adsorption coefficient (Koc) value of read across chemical 1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-((4-sulfo-1-naphthalenyl)azo)-, trisodium salt. The adsorption coefficient (Koc) value was calculated using a water solubility of 80,000 mg/l and a regression derived equation. The adsorption coefficient (Koc) value of test substance 1,3-Naphthalenedisulfonic acid, 7-hydroxy-8-((4-sulfo-1-naphthalenyl)azo)-, trisodium salt was estimated to be 9 (Log Koc = 0.954).

 

On the basis of above overall 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 ACD labs,SciFinder and ChemSpider database,2017), it can be concluded that the Koc value of test substance 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 estimated to be 1indicating that the 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 acidhas a negligible sorption to soil and therefore have rapid migration potential to groundwater.