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Environmental fate & pathways

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Description of key information

Bioaccumulation : aquatic / sediment :

Using BCFBAF Program (v3.00) model of EPI suite (2017) the estimated bio concentration factor (BCF) for Sodium 4-chloro-3-nitrobenzenesulphonate (CAS No. 17691-19-9) is 3.162 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical 4-chloro-3-nitrobenzenesulphonate is non bioaccumulative in food chain.

Additional information

Bioaccumulation : aquatic / sediment :

Various predicted data for the target compoundSodium 4-chloro-3-nitrobenzenesulphonate ( CAS no. 17691 -19 -9) and supporting weight of evidence studies for its read across substance were reviewed for the bioaccumulation end point which are summarized as below.

Using BCFBAF Program (v3.00) model of EPI suite (2017) the estimated bio concentration factor (BCF) for Sodium 4-chloro-3-nitrobenzenesulphonate (CAS No. 17691-19-9) is 3.162 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical 4-chloro-3-nitrobenzenesulphonate is non bioaccumulative in food chain.

Another prediction was used for the estimation of bioaccumulation potential of test chemical , 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 Sodium 4-chloro-3-nitrobenzenesulphonate (CAS no.17691 -19 -9) was estimated to be 3.58 dimensionless . The predicted BCF result based on the 5 OECD principles. Thus based on the result it is concluded that the test substance Sodium 4-chloro-3-nitrobenzenesulphonate is non-bioaccumulative in nature, because the bioconcentration factor in fish is less than 2000.

The above predicted data was supported by experimental data summarized in J-CHECK Japan Chemicals Collaborative Knowledge database, 2017 for structurally similar read across substance Sodium 3-nitrobenzenesulphonate (CAS:127-68-4).

The test material Sodium 3-nitrobenzenesulfonate was subjected for evaluation of bio-accumulative potential on Cyprinus carpio fish for 6 weeks with Nominal concentrations 1st Concentration area: 1.0 mg/l(w/v), 2nd Concentration area: 0.1 mg/l. The observed BCF value was considered to be in the range of <=0.5 – 1.6 . Hence, Sodium 3-nitrobenzenesulfonate  was considered to be not bio-accumulative

The above experimental data was further supported by experimental result summarized in J-CHECK Japan Chemicals Collaborative Knowledge database, 2017 for structurally similar read across substance 4-Chloro-3-nitrobenzenesulfonamide (CAS:97-09-6).

4-chloro-3-nitrobenzenesulfonamide when subjected for the evaluation of bio-accumulation potential on aquatic organisms gave an estimated BCF value of 1.9 suggests that 4-chloro-3 nitrobenzene sulfonamide will not bioaccumulate in aquatic organisms.

On the basis of above results for target chemical 4-chloro-3-nitrobenzenesulphonate ( CAS no. 17691 -19 -9)(from EPI suite,and CompTox Chemistry Dashboard,  2017) and for its read across substance (from authoritative database J-CHECK), it can be concluded that the BCF value of test substanceSodium 4-chloro-3-nitrobenzenesulphonateranges from 1.0 – 4.61 which does not exceed the bioconcentration threshold of 2000, indicating that the chemicalSodium 4-chloro-3-nitrobenzenesulphonateis not expected to bioaccumulate in the food chain.