Registration Dossier
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EC number: 238-906-5 | CAS number: 14846-08-3
Endpoint summary
Administrative data
Description of key information
Bioaccumulation in aquatic and sediments:
From BCFBAF Program (v3.00) model of EPI suite v.3.01 the estimated bio concentration factor (BCF) for sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate (CAS No: 14846-08-3) is 3.162 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000. Thus it is concluded that sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate is expected not to bioaccumulate in the aquatic environment.
Additional information
Bioaccumulation in aquatic and sediment:
Various predicted data for the target compound Sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate (CAS No. 14846 -08 -3) and supporting weight of evidence study of its read across chemical were reviewed for the bioaccumulation end point which are summarized as below:
In a prediction done rom BCFBAF Program (v3.00) model of EPI suite v.3.01( Estimation Program Interface, 2017) the estimated bio concentration factor (BCF) for sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate (CAS No: 14846-08-3) is 3.162 L/kg wet-wt.
In another prediction done by Using Bio-concentration Factor (v12.1.0.50374) module of (ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017) Bio-concentration Factor over the entire pH scale of the chemical sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate (CAS no. 14846 -08 -3) estimated to be 1.0 dimensionless.
Next prediction done from CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application) V1.02 model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical). The bioaccumulation i.e BCF for test substance sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate(CAS no. 14846 -08 -3) was estimated to be 5.53 dimensionless. The predicted BCF result based on the 5 OECD principles.
In a supporting weight of evidence study from authoritative database HSDB ( Hazardous Substance Database, 2017) the BCF value of read across chemical 4-aminobenzene-1-sulfonic acid (CAS no. 121-57-3) was estimated is 3 dimensionless by using log Kow of -2.16 and regression derived equation and it is far less than 2000.
On the basis of above results for target chemical sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate (CAS no. 14846-08-3)(from EPI Suite, ACD labs, and Comptox chemistry dashboard, 2017) and its supporting weight of evidence study for read across chemical ( From HSDB) it can be concluded that the BCF value of test substance sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonateranges from 1 to 3.162 dimensionless which does not exceed the bioconcentration threshold of 2000, indicating that the chemical sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate is not expected to bioaccumulate in the food chain.
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