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Environmental fate & pathways

Bioaccumulation: aquatic / sediment

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Reference
Endpoint:
bioaccumulation in aquatic species, other
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
Data is from predictive model developed by US EPA.
Qualifier:
no guideline available
Principles of method if other than guideline:
Prediction is done using BCFBAF Program (v3.01) of EPI Suite model.
GLP compliance:
not specified
Radiolabelling:
not specified
Vehicle:
not specified
Test organisms (species):
other: Fish
Route of exposure:
aqueous
Test type:
other: Estimation
Test temperature:
25 deg C
Reference substance (positive control):
not specified
Temp.:
25 °C
Type:
BCF
Value:
3.162 L/kg
Basis:
whole body w.w.
Calculation basis:
other: estimated
Remarks on result:
other: Non bioaccumulative

BCFBAF Program (v3.01) Results:

==============================

SMILES : Nc(c(cc(N)c1)CL)c1

CHEM : 1,4-Benzenediamine, 2-chloro-

MOL FOR: C6 H7 CL1 N2

MOL WT : 142.59

--------------------------------- BCFBAF v3.01 --------------------------------

Summary Results:

Log BCF (regression-based estimate): 0.50 (BCF = 3.16 L/kg wet-wt)

Biotransformation Half-Life (days) : 0.0222 (normalized to 10 g fish)

Log BAF (Arnot-Gobas upper trophic): -0.01 (BAF = 0.982 L/kg wet-wt)

Log Kow (experimental): not available from database

Log Kow used by BCF estimates: 0.25

Equation Used to Make BCF estimate:

Log BCF = 0.50

Correction(s): Value

Correction Factors Not Used for Log Kow < 1

Estimated Log BCF = 0.500 (BCF = 3.162 L/kg wet-wt)

Validity criteria fulfilled:
not specified
Conclusions:
The bioconcentration factor (BCF) for 2-chloro-p-phenylenediamine is estimated as 3.162 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000 as per Annex XIII of REACH regulation. Thus, it is concluded that 2-chloro-p-phenylenediamine (CAS No. 615-66-7) does not qualify as bio-accumulative substance. This BCF also suggests the potential for bioconcentration in aquatic organisms is low.
Executive summary:

The BCFBAF program v3.01 of Estimation Programs Interface (EPI) Suite (2017) prediction model was used to predict the bioconcentration factor of 2-chloro-p- phenylenediamine (CAS No. 615-66-7). The bioconcentration factor (BCF) for 2-chloro-p-phenylenediamine is estimated as 3.162 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000 as per Annex XIII of REACH regulation. Thus, it is concluded that 2-chloro-p-phenylenediamine (CAS No. 615-66-7) does not qualify as bio-accumulative substance. This BCF also suggests the potential for bioconcentration in aquatic organisms is low.

Description of key information

The BCFBAF program v3.01 of Estimation Programs Interface (EPI) Suite (2017) prediction model was used to predict the bioconcentration factor of 2-chloro -p-phenylenediamine (CAS No. 615-66-7). The bioconcentration factor (BCF) for 2-chloro-p-phenylenediamine is estimated as 3.162 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000 as per Annex XIII of REACH regulation. Thus, it is concluded that 2-chloro-p-phenylenediamine (CAS No. 615-66-7) does not qualify as bio-accumulative substance. This BCF also suggests the potential for bioconcentration in aquatic organisms is low.

Key value for chemical safety assessment

BCF (aquatic species):
3.162 L/kg ww

Additional information

The substance 2-chloro-p-phenylenediamine (CAS No. 615-66-7) has been investigated for its environmental bioconcentration potential (BCF) to a greater or lesser extent. These include various predicted result from validated model for target chemical 2-chloro-p-phenylenediamine (CAS No. 615-66-7)and experimental data for its read across substances 3-chloroaniline (CAS No.- 108-42-9) and 3,4-dichloroaniline (CAS No.- 95-76-1) by considering its structure-activity relationships. The studies are summarized as follows:

 

The BCFBAF program v3.01 of Estimation Programs Interface (EPI) Suite (2017) prediction model was used to predict the bioconcentration factor of 2-chloro-p-phenylenediamine (CAS No. 615-66-7). The bioconcentration factor (BCF) for 4-chloro-o-phenylenediamine is estimated as 3.162 L/kg wet-wt.

 

In a study conducted by T. Tsuda et al. (Chemosphere 1993, 26(12), 2301-2306.), the bioconcent ration factor (24-336 hr exposure) for carp exposed to 14.7 and 0.67 µg/L under continuous flow-through conditions, 0.8 and 2.2, respectively. Whole-body excretion rate constant 0.21 hr-1. This low value of BCF indicates that 3-chloroaniline does not qualify as bio-accumulative substance as the BCF factor is less than the bio-concentration threshold of 2000 as per Annex XIII of REACH regulation. This BCF also suggests the potential for bioconcentration in aquatic organisms is low.

 

Moreover, based on the study from an authoritative database [HSDB(Hazardous Substances Data Bank) (2017)], a BCF of 30.2 was determined for 3,4-dichloroaniline under static conditions with 60 male zebra fish for 10 hours. According to a classification scheme, this BCF suggests the potential for bioconcen tration in aquatic organisms is low.

 

Based on the above predicted studies for target substance 2-chloro-p-phenylenediamine (CAS No. 615-66-7) and to its read across substances 3-chloroaniline (CAS No.- 108-42-9) and 3,4-dichloroaniline (CAS No.- 95-76-1), the bioconcentration factor (BCF) was found to be in the range of 0.8 – 30.2 (dimension less or L/kg wet-wt) at temperature 25 degC. These BCF values does not exceed the bioconcentration threshold of 2000 as per Annex XIII of REACH regulation. Thus, it is concluded that 2-chloro-p-phenylenediamine (CAS No. 615-66-7) does not qualify as bio-accumulative substance. This BCF also suggests the potential for bioconcentration in aquatic organisms is low.