3-(1-(4-amino-3-methyl-5-sulphonatophenyl)-1-(4-amino-3-sulphonatophenyl)methylene)cyclohexa-1,4-dienesulphonic acid

Endpoint summary

Description of key information

Short term toxicity to aquatic invertebrates:

Short term toxicity of test chemical 2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate (CAS no. 3244-88-0)  was estimated by using OECD QSAR tool box v3.3 with log Kow as primary descriptor and considering the seven closest read across substances. When test chemical was exposed for 48 hrs on Daphnia magna EC50 value was estimated to be 335.08 mg/L. Since EC50 value is greater than 100 mg/L it is concluded that this test chemical can be considered to be not classified according to CLP classification criteria.

Toxicity to aquatic algae and cyanobacteria:

Toxicity of test chemical 2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate (CASno. 3244 -88 -0)  was estimated by using OECD QSAR tool box v3.3 with log Kow as primary descriptor and considering the seven closest read across substances. When test chemical  was exposed for 72 hrs onPseudokirchneriella subcapitata (previous names: Raphidocelis subcapitata, Selenastrum capricornutum)alga, EC50 value was estimated to be 214.12 mg/L. Since EC50 value is greater than 100 mg/L it is concluded that this test chemical can be considered to be not classified according to CLP classification criteria.

Additional information

Short term toxicity to aquatic invertebrates:

Following studies include the predicted data for the target chemical and experimental studies for structurally similar read across chemicals to conclude the toxicity extent of 2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate (CAS no. 3244-88-0) towards aquatic invertebrate.

Short term toxicity of test chemical 2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate (CAS no. 3244-88-0)  was estimated by using OECD QSAR tool box v3.3 with log Kow as primary descriptor and considering the seven closest read across substances. When test chemical was exposed for 48 hrs on Daphnia magna EC50 value was estimated to be 335.08 mg/L. Since EC50 value is greater than 100 mg/L it is concluded that this test chemical can be considered to be not classified according to CLP classification criteria.

Further it is supported by the experimental study of read across -amino-N-(4-methylpyrimidin-2-yl) benzene-1-sulfonamide (CAS no. 127-79-7) from authoritative database Ecotox knowledge base(2017). In this study short term toxicity of 4-amino-N-(4-methylpyrimidin-2-yl) benzene-1-sulfonamide (CAS no. 127-79-7) on the growth of daphnia magna was determined by providing the exposure period of 48 hrs. Test performed in static system. After the exposure effect concentration was observed on the basis of immobilization of daphnia magna and measure effect by the equilibrium. Based on the immobilization of daphnia magna after the exposure of chemical 4-amino-N-(4-methylpyrimidin-2-yl)benzene-1-sulfonamide for 48 hrs, the EC50 was 277 mg/l.

Another experimental study of read across 4-aminophenol (CAS: 123-30-8) from same source as mentioned in above experimental study. In this study short term toxicity of read across chemical (4-aminophenyl)arsonic acid (CAS no. 98-50-0) on the growth of daphnia magna was determined by providing the exposure period of 48 hrs. Test performed in static system. After the exposure effect concentration was observed on the basis of immobilization of daphnia magna and measure effect by the equilibrium. Based on the immobilization of daphnia magna after the exposure of read across chemical (4-aminophenyl)arsonic acid for 48 hrs, the EC50 was 110 mg/l.

Thus based on the effect concentrations which is in the range 110 mg/L to 335 mg/L indicates that test substance 2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate(CAS no. 3244-88-0) was likely to be non toxic to aquatic invertebrate at environmentally relevant concentrations. Since EC50 value range is greater than 100 mg/L it is concluded that this test chemical can be considered to be not classified according to CLP classification criteria.

Toxicity to aquatic algae and cyanobacteria:

Studies of predicted data from different sources have been done of target chemical 2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate (CAS no. 3244 -88 -0)  to determine short term toxicity to green algae.

In first weight of evidence study toxicity of test chemical 2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate (CAS no. 3244 -88 -0)  was estimated by using OECD QSAR tool box v3.3 with log Kow as primary descriptor and considering the seven closest read across substances. When test chemical was exposed for 72 hrs on Pseudokirchneriella subcapitata (previous names are Raphidocelis subcapitata and Selenastrum capricornutum) alga, EC50 value was estimated to be 214.12 mg/L.

In another weight of evidence study the short-term toxicity of the test substance 2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate (CAS no.3244 -88 -0 ) to green algae is predicted using EPI Suite ECOSAR version 1.10. On the basis of effects observed in a static freshwater system during a 96 hr exposure, the effect concentration (EC50) for the substance is estimated to be  36896.191 mg/L.

Similarly, in last weight of evidence study the estimated 72 hrs EC50 value of test substance  2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate (CAS no.3244 -88 -0)  on Pseudokirchneriella subcapitata was determined by three different models i.e, Battery, Leadscope and SciQSAR used within Danish QSAR database. The average EC50 value was given by the third model i.e, Battery model. Based on inhibition in growth rate of test organism Pseudokirchneriella subcapitata in a static freshwater system, the estimated 72 hrs EC50 value was predicted to be 34803.73 mg/l.

Based on the results of all above studies for test chemical 2-amino-5-[(4-amino-3-sulfonatophenyl)(3-sulfocyclohexa-2,5-dien-1-ylidene)methyl]-3-methylbenzenesulfonate EC 50 value estimated was in range of 214.12 - 36896.191 mg/L therefore it is concluded that target chemical can be considered as non-toxic to green algae at environmentally relevant concentrations and can be considered not-classified as per the CLP classification criteria.