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Environmental fate & pathways

Bioaccumulation: aquatic / sediment

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Reference
Endpoint:
bioaccumulation in aquatic species, other
Type of information:
experimental study
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Justification for type of information:
Data is from authorative database
Reference:
Composition 1
Qualifier:
according to
Guideline:
other: Refer below principle
Principles of method if other than guideline:
Environmental Bioconcentration of test substance 4-nitro-1,3-benzenediamine was determine using an estimated log Kow of 0.55(1) and a regression-derived equation.
GLP compliance:
not specified
Test material information:
Composition 1
Specific details on test material used for the study:
- Name of test material (as cited in study report): 4-nitrobenzene-1,3-diamine
- Molecular formula (if other than submission substance): C6H7N3O2
- Molecular weight (if other than submission substance): 153.14 g/mol
- Smiles notation (if other than submission substance): c1(c(cc(N)cc1)N)[N+](=O)[O-]
- InChI: 1S/C6H7N3O2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H,7-8H2
- Substance type: Organic
- Physical state: Solid
Radiolabelling:
not specified
Vehicle:
not specified
Test organisms (species):
other: fish
Route of exposure:
aqueous
Test type:
not specified
Water / sediment media type:
natural water: freshwater
Hardness:
No data
Test temperature:
No data
pH:
No data
Dissolved oxygen:
No data
TOC:
No data
Salinity:
No data
Conductivity:
No data
Details on test conditions:
No data
Nominal and measured concentrations:
No data
Reference substance (positive control):
not specified
Type:
BCF
Value:
3 dimensionless
Basis:
whole body w.w.
Calculation basis:
other: regression-derived equation
Validity criteria fulfilled:
not specified
Conclusions:
From authorative database HSDB an estimated BCF of 3 was calculated for 4-nitro-1,3-benzenediamine ,using an estimated log Kow of 0.55(1) and a regression-derived equation.
Executive summary:

An estimated BCF value of 3 was calculated in fish for 4-nitro-1,3-benzenediamine ,using an estimated log Kow of 0.55 and a regression-derived equation. This BCF value suggests that the potential for bioconcentration in aquatic organisms (fish) is low.

Description of key information

An estimated BCF value of 3 was calculated in fish for 4-nitro-1,3-benzenediamine ,using an estimated log Kow of 0.55 and a regression-derived equation. This BCF value suggests that the potential for bioconcentration in aquatic organisms (fish) is low.

Key value for chemical safety assessment

BCF (aquatic species):
3 dimensionless

Additional information

Four studies including experimental data from authorative database and predicted data from validated models for bioaccumulation (BCF) endpoint of target chemical 4-nitrobenzene-1,3-diamine (Cas no. 5131-58-8) were summarized as follows: 

 

First study for target chemical (Cas no. 5131-58-8) which suggest an estimated BCF value of 3 was calculated in fish for 4-nitro-1,3-benzenediamine ,using an estimated log Kow of 0.55 and a regression-derived equation. This BCF value suggests that the potential for bioconcentration in aquatic organisms (fish) is low. (HSDB database by US EPA; 2017)

 

Above result is supported by prediction using BCFBAF (v3.00) model and PBT profiler which indicate the estimated bio concentration factor (BCF) for 4-nitro-1,3-benzenediamine is 3.2 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000. Thus it is concluded that 4-nitro-1,3-benzenediamine is not expected to bio accumulate in the aquatic environment.

 

Above prediction is further assisted by Scifinder database which suggest the Bioconcentration factor (BCF) for target chemical 4-nitrobenzene-1,3-diamine was estimated to be 1.0 at pH 1, 1.68 at pH 2, 1.85-1.88 at pH range 3-10 at temperature 25 deg.C.Based on the BCF concentration at all range of pH it is concluded that the test chemical 4-nitrobenzene-1,3-diamine is non bioaccumulative in nature as it does not exceed the BCF criteria of 2000.

Chemspider - ACD/PhysChem Suite prediction model indicate the Bioconcentration factor (BCF) for target chemical 4-nitrobenzene-1,3-diamine was estimated to be 5.10 at pH 5.5 and 7.4 at temperature 25 deg.C. Based on the BCF concentration at two different pH concluded that the test chemical 4-nitrobenzene-1,3-diamine is non bioaccumulative in nature as it does not exceed the BCF criteria of 2000.

Thus based on all available studies for bioaccumulation endpoint concluded that the test substance 4-nitrobenzene-1,3-diamine (Cas no. 5131-58-8) is expected to be non Bioaccumulative in aquatic environment.