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Description of key information

Biodegradation:

Biodegradation in water:

Biodegradability of test chemical sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate (CAS no. 14846 -08 -3) is predicted using OECD QSAR tool box v.3.3 using log Kow s primary descriptor. The test chemical sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate showed 0.0 % biodegradation in aerobic condition in 28 days by considering BOD as parameter and microorganisms as inoculum. By this percent biodegradation value it is concluded that the test chemical sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate is not readily biodegradable.

Biodegradation in water and sediment:

Estimation Programs Interface (EPI Suite, 2017) prediction model was run to predict the half-life in water and sediment for the test compound sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate (CAS No: 14846 -08 -3) .If released in to the environment, 14.2 % of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of the chemical [ sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate in water is estimated to be 60 days (1440 hrs). The half-life (60 days estimated by EPI suite) indicates that the chemical is persistent in water and the exposure risk to aquatic animals is high whereas the half-life period of sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate in sediment is estimated to be 541.66 days (13000 hrs).  indicates that test chemical sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate is persistent in sediment as well.

Biodegradation in Soil:

The half-life period of sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate (CAS No: 14846 -08 -3) in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database (EPI suite, 2017). If released into the environment, 85.7 % of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of test chemical sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate in soil is estimated to be 120 days (2880 hrs). Based on this half-life value of test chemical sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate, it is concluded that the chemical is not persistent in the soil environment and the exposure risk to soil dwelling animals is moderate to low.

Bioaccumulation:

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.

Transport and distribution:

Adsorption/desorption:

The Soil Adsorption Coefficient i.e Koc value of sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate (CAS No: 14846-08-3) was estimated using EPI suite KOCWIN Program (v2.00) as 144.2 L/kg(log Koc=2.1589)  by means of MCI method at 25 deg.C. This Koc value indicates that the substance sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate has low sorption to soil and sediment and therefore have moderate migration potential to groundwater.

Additional information

Biodegradation:

Biodegradation in water:

Predicted data for target compound sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate (CAS no. 14846 -08 -3) and supporting weight of evidence studies one for its read across chemical 4-aminobenzene-1-sulfonic acid (CAS no. 121-57-3)) and another for its closest read across chemical Bis 3,3'-sulfonyldianiline (CAS no. 599-61-1) with log Kow as a primary descriptor were reviewed for the biodegradation endpoint which are summarized as below.

 

Biodegradability of test chemical sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate (CAS no. 14846 -08 -3) is predicted using OECD QSAR tool box v.3.3 using log Kow primary descriptor. The test chemical sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate showed 0.0 % biodegradation in aerobic condition in 28 days by considering BOD as parameter and microorganisms as inoculum. By this percent biodegradation value it is concluded that the test chemical sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate is not readily biodegradable.

 

Another prediction done by using Estimation Programs Interface Suite (EPI suite, 2017) to estimate biodegradation potential of the test chemical sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate (CAS No: 14846 -08 -3) in the presence of mixed populations of environmental microorganisms. The biodegradability of the substance was calculated using seven different models such as Linear Model, Non-Linear Model, Ultimate Biodegradation Timeframe, Primary Biodegradation Timeframe, MITI Linear Model, MITI Non-Linear Model and Anaerobic Model (called as Biowin 1-7, respectively) of the BIOWIN v4.10 software. The results indicate that chemical sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate is not readily biodegradable.

 

In a supporting weight of evidence study (D. Brown and B. Hamburger, 1987) the anaerobic biodegradation experiment was performed for read across chemical 4-aminobenzene-1-sulfonic acid (CAS no. 121-57-3) at 35oC and initial concentration of chemical taken was 100mg/L for 77 days. By DOC analysis 0 % degradation was observed in 77 days. So it is concluded that this read across chemical is not readily biodegradable.

 

In another supporting weight of evidence study from authoritative database (J checK, 2017) read across chemical 3, 3'-sulfonyldianiline (CAS no. 599-61-1) was subjected to biodegradation test by taking sludge as inoculums at 30 mg/L concentration. Biodegradation was analyzed by using BOD, TOC and HPLC parameter. The initial concentration of read across chemical was 100 mg/L and study design is of standard type. After 4 weeks (28 days) read across chemical 3, 3'-sulfonyldianiline showed 0% biodegradation by BOD and TOC parameter and 1% biodegradation by HPLC parameter. So it is concluded that chemical 3, 3'-sulfonyldianiline is not readily biodegradable.

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 2017 and OECD QSAR tool box v3.3 2017) and for its read across substances ( from Chemosphere journal V.16 and authoritative database) the target chemical sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate (CAS no. 14846 -08 -3) can be expected to be not readily biodegradable.

Biodegradation in water and sediment:

Estimation Programs Interface (EPI Suite, 2017) prediction model was run to predict the half-life in water and sediment for the test compound sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate (CAS No: 14846 -08 -3) .If released in to the environment, 14.2 % of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of the chemical [ sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate in water is estimated to be 60 days (1440 hrs). The half-life (60 days estimated by EPI suite) indicates that the chemical is persistent in water and the exposure risk to aquatic animals is high whereas the half-life period of sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate in sediment is estimated to be 541.66 days (13000 hrs).  indicates that test chemical sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate is persistent in sediment as well.

Biodegradation in Soil:

The half-life period of sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate (CAS No: 14846 -08 -3) in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database (EPI suite, 2017). If released into the environment, 85.7 % of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of test chemical sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate in soil is estimated to be 120 days (2880 hrs). Based on this half-life value of test chemical sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate, it is concluded that the chemical is not persistent in the soil environment and the exposure risk to soil dwelling animals is moderate to low.

Bioaccumulation:

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.

Transport and distribution:

Adsorption/desorption:

Results of two different predicted data for the target compound of sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate (CAS No: 14846-08-3) and supporting weight of evidence study for its read across chemical were reviewed for the Adsorption end point which are summarized as below.

The Soil Adsorption Coefficient i.e Koc value of sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate (CAS No: 14846-08-3) was estimated using EPI suite ( Estimation Program Interface, 2017) KOCWIN Program (v2.00) as 144.2 L/kg(log Koc=2.1589)  by means of MCI method at 25 deg.C. This Koc value indicates that the substance sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate has low sorption to soil and sediment and therefore have moderate migration potential to groundwater.

Another predicted Soil Adsorption Coefficient i.e Koc value of test substance sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate (CAS no. 14846 -08 -3) was estimated using Adsorption Coefficient module (v12.1.0.50374) program of ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017) over entire pH scale i.e., 1-14 as Koc 1 dimensionless (log Koc= 0). This log Koc value indicates that the test substance sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate has negligible sorption to soil and sediment and therefore have rapid migration potential to groundwater.

In a supporting weight of evidence Soil Adsorption/Mobility study was conducted for the read across chemical 4-aminobenzene-1-sulfonic acid (CAS no.121 -57 -3) to estimated Koc value by using Structure estimation method based on molecular connectivity indices. The estimated Koc value is 10 dimensionless and log Koc is 1 this log  Koc value suggests that 4-aminobenzene-1-sulfonic acid is expected  to have negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.

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 and ACD labs, 2017) and for its read across chemicals (From authoritative database HSDB) it can be concluded that the log Koc value of test substance sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate ranges from 0 to 2.15 indicating that the chemical sodium 2-[(4-aminophenyl)amino]-5-nitrobenzene-1-sulfonate has negligible to low sorption to soil and sediment and therefore have rapid to moderate migration potential to ground water