5-amino-2-chlorobenzenesulphonic acid

Endpoint summary

Description of key information

Bioaccumulation: aquatic/sediment

BCFBAF model (v3.01) of Estimation Programs Interface (EPI Suite, 2017) prediction program was used to predict the bioconcentration factor (BCF) of test chemical 5 -amino-2 -chlorobenzenesulfonic acid (CAS No. 88 -43 -7). The bioconcentration factor (BCF) of 5-amino-2-chlorobenzenesulfonic acid was estimated to be 3.162 L/kg whole body w.w (at 25 deg C) which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 5-amino-2-chlorobenzenesulfonic acid is not expected to bioaccumulate in the food chain.

Additional information

Bioaccumulation: aquatic/sediment

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 bioaccumulation end point which are summarized as below:

 

In aprediction done using theBCFBAF Program(v3.01) of Estimation Programs Interface (EPI Suite, 2017) prediction program was used to predict the bioconcentration factor (BCF) of test chemical 5 -amino-2 -chlorobenzenesulfonic acid (CAS No. 88 -43 -7). The bioconcentration factor (BCF) of 5-amino-2-chlorobenzenesulfonic acid was estimated to be 3.162 L/kg whole body w.w (at 25 deg C).

 

In an another prediction done by using Bio-concentration Factor (v12.1.0.50374) moduleACD (Advanced Chemistry Development)/I-Lab predictive module, 2017), the bio-concentration factor over the entire pH scale (pH 0 -14) of the test substance 5-amino-2-chlorobenzenesulfonic acid (CAS no. 88 -43 -7) was estimated to be 1.

 

Bioaccumulation test was conducted for estimating the bioconcentration factor (BCF) of test chemical 5-amino-2-chlorobenzenesulfonic acid (CAS no. 88 -43 -7)(ChemSpider, 2017). The estimated bioconcentration factor (BCF) of 5-amino-2-chlorobenzenesulfonic acid was estimated to be 1 at pH 5.5 and 7.4, respectively.

 

Another predicted data was estimated usingSciFinder database (American Chemical Society (ACS), 2017) for predicting the bioconcentration factor (BCF) of test chemical 5-amino-2-chlorobenzenesulfonic acid (CAS No. 88 -43 -7). The estimated bioconcentration factor (BCF) of 5 -amino-2 -chlorobenzenesulfonic acid was estimated to be 1 (at 25 deg C).

 

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 5-amino-2-chlorobenzenesulfonic acid was estimated to be 5.36 dimensionless . The predicted BCF result based on the 5 OECD principles. Thus based on the result it is concluded that the test substance 5-amino-2-chlorobenzenesulfonic acid is non-bioaccumulative in nature.

 

In a supporting weight of evidence study from authoritative database (J-CHECK, 2017) for the read across chemical sodium 2-chloro-5-nitrobenzenesulfonate (CAS no. 946-30-5),bioaccumulation experiment was conducted on test organism Cyprinus carpiofor 6 weeks for evaluating the bioconcentration factor (BCF value) of read across substance sodium 2 -chloro-5 -nitrobenzenesulfonate. The study was performed according to other guideline "Bioaccumulation test of a chemical substance in fish or shellfish" provided in "the Notice on the Test Method Concerning New Chemical Substances". Cyprinus carpio was used as a test organism for the study. Test chemical nominal conc. used for the study were 3.0 mg/l and 0.3 mg/l (w/v), respectively. Range finding study involve the TLm (48 hr) of ≥ 1000 ppm (1000 mg/l) (w/v) on Rice fish (Oryzias latipes). The bioconcentration factor (BCF value) of substance sodium 2 -chloro-5 -nitrobenzenesulfonate on Cyprinus carpio was determined to be ≤ 0.3 L/Kg at a conc. of 3.0 mg/l and ≤ 3 L/Kg at a conc. of 0.3 mg/l, respectively.

 

For the read across chemical 2-amino-5-methylbenzene sulfonic acid (CAS no. 88-44-8) from authoritative database (J-CHECK, 2017),bioaccumulation study was conducted on test organism Cyprinus carpiofor 6 weeks for evaluating the bioconcentration factor (BCF value) of read across substance 2 -amino-5 -methylbenzene sulfonic acid (CAS no. 88 -44 -8).The study was performed according to other guideline "Bioaccumulation test of a chemical substance in fish or shellfish" provided in "the Notice on the Test Method Concerning New Chemical Substances". Cyprinus carpio was used as a test organism for the study. Test chemical nominal conc. used for the study were 2.0 mg/l and 0.2 mg/l (w/v), respectively. Range finding study involve the TLm (48 hr) of ≥ 480 ppm (480 mg/l) (w/v) on Rice fish (Oryzias latipes). The bioconcentration factor (BCF value) of substance 2 -amino-5 -methylbenzene sulfonic acid on Cyprinus carpio was determined to be ≤ 0.4 L/Kg at a conc. of 2.0 mg/l and ≤ 4 L/Kg at a conc. of 0.2 mg/l, respectively.

 

On the basis of above results for target chemical5-amino-2-chlorobenzenesulfonic acid(from EPI Suite, ACD labs,ChemSpider, SciFinder database and CompTox Chemistry Dashboard,2017) and for its read across substance from J-CHECK, it can be concluded that the BCF value of test substance5-amino-2-chlorobenzenesulfonic acid ranges from 1 –5.36which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 5-amino-2-chlorobenzenesulfonic acid is not expected to bioaccumulate in the food chain.