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Environmental fate & pathways

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Adsorption/desorption

KOCWIN model (v2.00) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the soil adsorption coefficient i.e Koc value of test chemical 5 -amino-2 -chlorobenzenesulfonic acid (CAS No. 88 -43 -7). The estimated soil adsorption coefficient i.e Koc value of 5 -amino-2 -chlorobenzenesulfonic acid was estimated to be 10 L/kg (log Koc=1.0)  by means of MCI method (at 25 deg C). This Koc value indicates that the substance 5 -amino-2-chlorobenzenesulfonic acid has a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.

Additional information

Adsorption/desorption

Various predicted data for the target compound 5-amino-2-chlorobenzenesulfonic acid (CAS No. 88-43-7) and the supporting weight of evidence studies for its read across substance were reviewed for the adsorption end point which are summarized as below:

 

In aprediction done using theKOCWIN Program(v2.00) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the soil adsorption coefficient i.e Koc value of test chemical 5 -amino-2 -chlorobenzenesulfonic acid (CAS No. 88 -43 -7). The estimated soil adsorption coefficient i.e Koc value of 5 -amino-2 -chlorobenzenesulfonic acid was estimated to be 10 L/kg (log Koc=1.0)  by means of MCI method (at 25 deg C).

 

The Soil Adsorption Coefficient i.e Koc value of test substance 5-amino-2-chlorobenzenesulfonic acid was estimated using Adsorption Coefficient module (v12.1.0.50374) program as Koc approx. 1 (log Koc = 0) at pH range 0-14 respectively(ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017).

 

In an another prediction done by using ChemSpider Database (2017), theSoil Adsorption Coefficient i.e Koc value of test substance 5-amino-2-chlorobenzenesulfonic acid (CAS no. 88 -43 -7) was estimated. The adsorption coefficient (Koc) value of substance 5-amino-2-chlorobenzenesulfonic acid was estimated to be 1 at pH 5.5 and 7.4, respectively.

 

Additional soil adsorption coefficient i.e Koc value of test chemical5-amino-2-chlorobenzenesulfonic acid (CAS No. 88 -43 -7)was estimated using the SciFinder database (American Chemical Society (ACS), 2017).The estimated soil adsorption coefficient i.e Koc value of 5-amino-2-chlorobenzenesulfonic acid was estimated to be 1 (at 25 deg C).

 

In a supporting weight of evidence study from authoritative database (HSDB, 2017) for the read across chemical sodium 4-aminobenzene-1-sulfonic acid (CAS no. 121-57-3),adsorption experiment was conducted for estimating the adsorption coefficient (Koc) value of read across chemical 4 -aminobenzene-1 -sulfonic acid. The adsorption coefficient (Koc) value was calculated using a structure estimation method based on molecular connectivity indices. The adsorption coefficient (Koc) value of substance 4-aminobenzene-1-sulfonic acid was estimated to be 10 (Log Koc = 1.0).

 

On the basis of above overall results for target chemical5-amino-2-chlorobenzenesulfonic acid(from EPI suite, ACD labs,ChemSpider and SciFinder database,2017) and for its read across substance from HSDB, it can be concluded that the Koc value of test substance5-amino-2-chlorobenzenesulfonic acid ranges from 1 – 10 indicating that the test chemical has a negligible sorption to soil and sediment and therefore have a rapid migration potential to groundwater.