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EC number: 229-657-3 | CAS number: 6641-64-1
Endpoint summary
Administrative data
Description of key information
Bioaccumulation : Aqautic/sediments:
From BCFBAF Program (v3.00) model of EPI suite the estimated bio concentration factor (BCF) for 4,5-Dichloro-2-nitroaniline (CAS No: 6641-64-1) is 70.68 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000. Thus it is concluded that the test chemical 4,5-Dichloro-2-nitroaniline is not expected to bio accumulate in the aquatic environment.
Additional information
Bioaccumulation : Aqautic/sediments:
Various predicted data for the target compound 4,5-Dichloro-2-nitroaniline (CAS No: 6641-64-1) and supporting weight of evidence study for its read across chemical were reviewed for the bioaccumulation end point which are summarized as below:
In a prediction done from BCFBAF Program (v3.00) model of EPI suite (Estimation Program Interface, 2017) the estimated bio concentration factor (BCF) for 4,5-Dichloro-2-nitroaniline (CAS No: 6641-64-1) is 70.68 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.
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 at range pH 1-14 of the chemical 4,5-Dichloro-2-nitroaniline( CAS no.6641-64-1) estimated to be 295 dimensionless.
Next prediction done by using Scifinder database of ACS ( American Chemical Society, 2017) The Bioconcentration factor (BCF) for test chemical 4,5-Dichloro-2-nitroaniline (CAS No: 6641-64-1) was predicted in aquatic organisms at pH 1-10 and temperature 25 °C .The Bioconcentration factor (BCF) of test substance 4,5-Dichloro-2-nitroaniline at pH 1-10 and temperature 25 °C was estimated to be 133 dimensionless.
Using Chemspider-ACD/Phy chem suite ( 2017) The Bioconcentration factor (BCF) for test chemical 4,5-Dichloro-2-nitroaniline (CAS No: 6641-64-1) was predicted in aquatic organisms at pH 5.5 and pH 7.4.The Bioconcentration factor (BCF) of test substance 4,5-Dichloro-2-nitroaniline at pH 5.5 and pH 7.4 was estimated to be 166.57 dimensionless.
Last 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 4,5-Dichloro-2-nitroaniline (CAS no.6641 -64 -1) was estimated to be 7.34 dimensionless it is based on the 5 OECD principles.
In a supporting weight of evidence study from authoritative database (J Check, 2017) Bioaccumulation test was conducted for 6 weeks for determination the bioconcentration factor (BCF) of read across chemical 4-Chlor-2-nitroanilin (CAS no 89-63-4) on test organism Cyprinus carpio. Nominal concentrations used was 1st Concentration area: 0.1 mg/L (w/v), 2nd Concentration area: 0.01 mg/L (w/v) and Range finding study was carried out on Rice fish (Oryzias latipes) TLm(48h) 17.4 ppm(w/v).Thus according to static Fish Test the BCF value for read across chemical 4-Chlor-2-nitroanilin was observed to be 7.5-13.2 L/kg at dose concentration 0.1 mg/L and 8-13.4 L/kg at dose concentration 0.01 mg/L on test organism Cyprinus carpio during 6 weeks period.
In another supporting weight of evidence study from authoritative database (J Check, 2017) Bioaccumulation test was conducted for 8 weeks for determination the bioconcentration factor (BCF) of read across chemical 1,2-Dichloro-4-nitrobenzene (CAS no 99-54-7) on test organism Cyprinus carpio. Recovery ratio was Test water : 1st concentration area : 97.8 %, 2nd concentration area : 98.9 %, Fish : 93.1 %, Limit of detection was Test water : 1st concentration area : 1.6 ng/mL, 2nd concentration area : 0.15 ng/mL, Fish : 7.4 ng/g. Vehicle used in this study was HCO-40, 1st Concentration area : 500 microg/L, 2nd Concentration area : 50 microg/L. Nominal concentrations used in the study are 1st Concentration area: 50 µg/L, 2nd Concentration area: 5 µg/L and Range finding study was carried out on Rice fish (Oryzias latipes) LC50(48h) 7.01 mg/L. Thus according to static Fish Test the BCF value for 1,2-Dichloro-4-nitrobenzene was observed to be 26-59 L/kg at dose concentration 50 µg/L and 37-65 L/kg at dose concentration 5 µg/L on test organism Cyprinus carpio during 8 weeks period on the basis of lipid content.
On the basis of above results for target chemical 4,5-Dichloro-2-nitroaniline (CAS No: 6641-64-1) (from EPI suite, ACD labs, and CompTox Chemistry Dashboard 2017) and for its read across chemicals (From J Check) it can be concluded that the BCF value of test substance 4,5-Dichloro-2-nitroaniline ranges from 7.34 to 295 dimensionless which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 4,5-Dichloro-2-nitroaniline is expected to be non-bioaccumulative in the food chain.
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