2-(4-aminoanilino)-5-nitrobenzenesulphonic acid

Endpoint summary

Description of key information

Short-term toxicity to fish

Based on the EPI Suite ECOSAR version 1.10 prediction model, the 96 hours LC50 was estimated to be 111000 mg/l on Fish for substance 2-[(4-aminophenyl) amino]-5-nitrobenzenesulfonic acid (CAS no.91-29-2) on the basis of mortality effects.

Short-term toxicity to aquatic invertebrates

Using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the six closest read across substances, the short term toxicity on aquatic invertebrates was predicted for 2 -[(4-aminophenyl) amino]-5-nitrobenzenesulfonic acid (Cas no. 91-29-2). Effect concentration i.e EC50 value was estimated to be 109.81 mg/l for Daphnia magna for 48 hrs duration. Based on the effect value, 2 -[(4-aminophenyl) amino]-5-nitrobenzenesulfonic acid (Cas no. 91-29-2) was likely to be non toxic to aquatic invertebrates, hence it can be considered to be not classified as per the CLP classification criteria for aquatic environment.

Toxicity to aquatic algae and cyanobacteria

Using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic algae and cyanobacteria was predicted for target substance 2-[(4-aminophenyl) amino]-5-nitrobenzenesulfonic acid (CAS no. 91-29-2). EC50 value was estimated to be 113.18 mg/l for Desmodesmus subspicatus for 72 h duration. Based on this value it can be concluded that the substance -[(4-aminophenyl) amino]-5-nitrobenzenesulfonic acid (CAS no. 91-29-2) is considered to be non toxic to aquatic environment and can be considered to be not classified as per the CLP classification criteria.

Additional information

Short-term toxicity to fish

Using the EPI Suite ECOSAR version 1.11, the short term toxicity on fish was predicted for test substance 2-[(4-aminophenyl) amino]-5-nitrobenzenesulfonic acid (CAS no.91-29-2) on the basis of effects observed in a static freshwater system. The lethal concentration LC50 value for the substance was estimated to be 111000 mg/l for fish for 96 hr exposure duration. Based on this lethal value it can be concluded that the substance 2-[(4-aminophenyl) amino]-5-nitrobenzenesulfonic acid (CAS no.91-29-2)can be considered to be non toxic to aquatic environment and thus it become not classified as per the CLP classification criteria.

Short-term toxicity to aquatic invertebrates

Five studies including predicted data from validated tools and experimental data from authorative database for short term aquatic invertebrate’s endpoint of test chemical 2-[(4-aminophenyl) amino]-5-nitrobenzenesulfonic acid (Cas no. 91-29-2) with relevant read across which is close to target using log Kow as primary descriptor were summarised as follows:

 

First prediction using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the six closest read across substances, which indicate the short term toxicity on aquatic invertebrates was predicted for 2-[(4-aminophenyl) amino]-5-nitrobenzenesulfonic acid (Cas no. 91-29-2) and the Effect concentration i.e EC50 value was estimated to be 109.81mg/l for Daphnia magna for 48 hrs duration.

 

Similarly, prediction by EPI suite, ECOSAR version 1.1, on the basis of similarity of structure to chemicals for which the aquatic toxicity has been previously measured by structure-activity relationships (SARs) program suggest the LC 50 value for short term toxicity to aquatic invertebrates was predicted. On the basis of EPI suite, ECOSAR version 1.1, the LC 50 value for short term toxicity to aquatic invertebrates was predicted to be 47889.34 mg/l for 2-[(4-aminophenyl) amino]-5-nitrobenzenesulfonic acid in 48 hrs.

Above both predicted results of target are supported by experimental result of read across chemical 4-amino-N-pyrimidin-2-ylbenzenesulfonamide (Cas no.68-35-9) from authorative database i.e ECOTOX which suggest short term toxicity to aquatic invertebrates was performed in Daphnia magna (Water Flea) for 48 hrs with <24 hrs age and life stage Juvenile(s) with 2ND-5THBROOD Test in fresh water media with static condition. During the experiment, the EC50 value for 4-amino-N-pyrimidin-2-ylbenzenesulfonamide (Cas no. 68-35-9) was determined to be 212 mg/l on the basis of mobility.

One another read across (4-aminophenyl)arsonic acid (Cas no.98-50-0) from same data source i.e ECOTOX database indicate short term toxicity to aquatic invertebrates was performed in Daphnia magna (Water Flea) for 48 hrs with <24 hrs age.Test in fresh water media with static condition. During the experiment, the EC50 value for (4-aminophenyl)arsonic acid (Cas no.98-50-0) was determined to be 110 mg/l on the basis of mobility.

Last study also from ECOTOX database for read across sodium [(4-aminophenyl)sulfonyl](1,3-thiazol-2-yl)azanide (Cas no.144-74-1) indicate short term toxicity to aquatic invertebrates was performed in Daphnia magna (Water Flea) for 48 hrs with <24 hrs age.Test in fresh water media with static condition. During the experiment, the EC50 value for sodium [(4-aminophenyl)sulfonyl](1,3-thiazol-2-yl)azanide (Cas no.144-74-1) was determined to be 140.99 mg/l on the basis of mobility.

Thus based on the all available effect concentrations which is in the range of 109.81mg/l to 47889.34 mg/l for target and read across chemicals which come to the conclusion that test substance 2-[(4-aminophenyl) amino]-5-nitrobenzenesulfonic acid (Cas no. 91-29-2) was likely to be non toxic to aquatic invertebrates as it not exceed the classification criteria, hence it can be considered to be not classified as per the CLP regulation.

Toxicity to aquatic algae and cyanobacteria

Three studies including predicted data from validated tools and experimental data from authorative database for short term toxicity to aquatic algae endpoint of test chemical 2-[(4-aminophenyl) amino]-5-nitrobenzenesulfonic acid (Cas no. 91-29-2) with relevant read across which is close to target using log Kow as primary descriptor were summarised as follows:

 

First prediction using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the six closest read across substances, which indicate the short term toxicity on aquatic algae and cyanobacteria was predicted for target substance 2-[(4-aminophenyl) amino]-5-nitrobenzenesulfonic acid (Cas no. 91-29-2). EC50 value was estimated to be 113.18 mg/l for Desmodesmus subspicatus for 72 h duration. 

Similarly, prediction by EPI suite, ECOSAR version 1.1, on the basis of similarity of structure to chemicals for which the aquatic toxicity has been previously measured by structure-activity relationships (SARs) program suggest on the basis of effects observed in a static freshwater system, the effect concentration EC50 value for the substance is estimated to be 11619 mg/l for green algae for 96 h duration.

Both predicted results for target assist by experimental data of read across chemical 2-methoxyaniline (Cas no.90-04-0) from authorative database J-check;2017 which indicate Short term toxicity to green algae study was carried out for 72 hrs.The study was based on the effects of the test compound 2-methoxyaniline (CAS no. 90-04-0) on green algae in a static fresh water system. Based on areas under the growth curves effects the 72 hr NOEC value was determined to be 7.5 mg/l.

Thus based on the both predicted effect concentrations which is in the range 113.18 mg/l to 11619 and NOEC value of read across i.e 7.5 mg/l which come to the conclusion that test substance 2-[(4-aminophenyl) amino]-5-nitrobenzenesulfonic acid (Cas no. 91-29-2) was likely to be non toxic to aquatic algae as it not exceed the classification criteria of aquatic toxicity as per the CLP regulation.