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EC number: 240-834-4 | CAS number: 16803-97-7
Endpoint summary
Administrative data
Description of key information
Bioaccumulation: aquatic / sediment:
BCFBAF model (v3.01) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the bioconcentration factor (BCF) of test chemical 4-amino-N-(4-aminophenyl) benzenesulphonamide (CAS No. 16803 -97 -7). The bioconcentration factor (BCF) of 4-amino-N-(4-aminophenyl) benzenesulphonamide 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 4-amino-N-(4-aminophenyl)benzenesulphonamide is expected to not bioaccumulate in the food chain.
Additional information
Bioaccumulation: aquatic / sediment:
Various predicted data for the target compound 4-amino-N-(4-aminophenyl) benzenesulphonamide (CAS No. 16803 -97 -7) and supporting weight of evidence study for its read across substance were reviewed for the bioaccumulation end point which are summarized as below:
In a prediction from BCFBAF model (v3.01) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the bioconcentration factor (BCF) of test chemical 4-amino-N-(4-aminophenyl) benzenesulphonamide (CAS No. 16803 -97 -7). The bioconcentration factor (BCF) of 4-amino-N-(4-aminophenyl) benzenesulphonamide 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 4-amino-N-(4-aminophenyl)benzenesulphonamide is expected to not bioaccumulate in the food chain.
Similarly using Bio-concentration Factor (v12.1.0.50374) module Bio-concentration Factor over the entire pH scale of the test substance estimated to be 4-amino-N-(4-aminophenyl)benzene sulphonamide. This value indicates that the test substance 4-amino-N-(4-aminophenyl) benzenesulphonamide determine to be non-accumulative in aquatic organisms.
In another predicted report from 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 4-amino-N-(4-aminophenyl)benzenesulphonamide was estimated to be 1.96 dimensionless. The predicted BCF result based on the 5 OECD principles. Thus based on the result it is concluded that the test substance 4-amino-N-(4-aminophenyl)benzenesulphonamide is non-bioaccumulative in nature.
Similarly in the another predicted data bioconcentration Factor (BCF) of test chemical 4-amino-N-(4-aminophenyl)benzenesulphonamide (CAS no. 16803 -97 -7) was estimated using Chemspider database. The bioconcentration factor of test substance 4-amino-N-(4-aminophenyl)benzenesulphonamide was estimated to be 1.16 and 1.27 at pH 5.5 and 7.4, respectively, which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 4-amino-N-(4-aminophenyl)benzenesulphonamide is not expected to bioaccumulate in the food chain.
Similarly SciFinder database (American Chemical Society (ACS), 2017) was used for predicting the bioconcentration factor (BCF) of test 4-amino-N-(4-aminophenyl)benzenesulphonamide (CAS No. 16803 -97 -7). The bioconcentration factor (BCF) of 4-amino-N-(4-aminophenyl)benzenesulphonamide was estimated to be 1, 1.45, 1.77, 1.81, 1.80, 1.69, 1.05 at pH range 1- 4, 5, 6, 7, 8, 9,10, respectively, (at 25 deg C) which does not exceed the bio concentration threshold of 2000, indicating that the chemical 4-amino-N-(4-aminophenyl) benzenesulphonamide is not expected to bioaccumulate in the food chain.
In a supporting weight of evidence study from authoritative database (J-check, HSDB and Envichem 2017) for the read across chemical 4, 4’- diaminodiphenylmethane (CAS no 101-77-9) Bioaccumulation experiment was conducted. Bioaccumulation study was conducted on test organism Cyprinus carpio for 6 weeks for evaluating the bioconcentration factor (BCF value) of 4, 4’- diaminodiphenylmethane (CAS no. 101-77-9).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", respectively. Cyprinus carpio was used as a test organism for the study. Test chemical nominal conc. used for the study were 0.2mg/land 0.02 mg/l, respectively. Test chemical solution was prepared in HCO-50.Analytical method involve the recovery ratio: Test water : 1st concentration area : 97.3 %, 2nd concentration area : 94.5 %, Fish : 76.1 %, - Limit of detection : Test water: 1st concentration area : 7.2 ppb, 2nd concentration area : 0.74 ppb, Fish : 0.06 ppm. Range finding study involve the TLm (48 hr) 32 mg/l (w/v) on Rice fish (Oryzias latipes). Lipid content of the test organism Cyprinus carpio was determined to be 4.5%. The bioconcentration factor (BCF value) of substance 4, 4’- diaminodiphenylmethane on Cyprinus carpio was determined to be in the range of 3-14 L/Kg at a conc. of 0.2 mg/l and 3.1-15 L/Kg at a conc. of 0.02 mg/l, respectively, which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 4, 4’- diaminodiphenylmethane is not expected to bioaccumulate in the food chain.
In another supporting weight of evidence study from authoritative database (J-check, 2017) for the read across chemical 4,4'-Diaminodiphenyl Ether was studied. The bioaccumulation study in fish was conducted for estimating the BCF (bioaccumulation factor) value of test chemical 4,4'-Diaminodiphenyl Ether (CAS no. 101-80-4). The bioaccumulation factor (BCF) value was calculated using a log Kow of 1.36 and a regression-derived equation. The estimated BCF (bioaccumulation factor) value of 4,4'-Diaminodiphenyl Ether was determined to be 4 dimensionless, which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 4,4'-Diaminodiphenyl Ether is considered to be non-accumulative in aquatic organisms.
On the basis of available information, the test 4-amino-N-(4-aminophenyl) benzenesulphonamide (CAS No. 16803 -97 -7) can be considered to be nonbioaccumulative in nature.
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