4,5-dihydro-5-oxo-4-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid

Endpoint summary

Description of key information

Short term toxicity to aquatic invertebrates:

Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the six closest read across substances, toxicity on daphnia magna was predicted for 4,5-dihydro-5-oxo-4-[[4-[[2-(sulphooxy)ethyl]sulphonyl] phenyl]azo]-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid (10149-98-1). Based on the intoxication of test organism the EC50 value was estimated to be 51.9 mg/l when4,5-dihydro-5-oxo-4-[[4-[[2(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid exposed to daphnia magna for 48 hrs. Based on this value it can be concluded that the substance 4,5-dihydro-5-oxo-4-[[4-[[2-(sulphooxy) ethyl]sulphonyl]phenyl]azo]-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid is considered to be toxic to aquatic environment and can be classified as aquatic chronic 3 category as per the criteria mentioned in CLP regulation.  

Toxicity to aquatic algae and cyanobacteria:

Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, toxicity on Pseudokirchneriella subcapitata (previous names: Raphidocelis subcapitata, Selenastrum capricornutum) was predicted for 4,5-dihydro-5-oxo-4-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl] azo]-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid (10149-98-1). Based on the growth rate inhibition of algae, the EC50 value was estimated to be 24.268 mg/l when 4,5-dihydro-5-oxo-4- [[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid exposed to Pseudokirchneriella subcapitata for 72hrs. Based on this value it can be concluded that the substance 4,5-dihydro-5-oxo-4-[[4-[[2-(sulphooxy) ethyl]sulphonyl]phenyl]azo]-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid is considered to be toxic to aquatic environment and can be classified as aquatic chronic 3 category per the criteria mentioned in CLP regulation. 

 

Additional information

Summarized result of toxicity of 4,5-dihydro-5-oxo-4-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid (10149-98-1) on the growth and other activity of aquatic invertebrates, algae and cyanobacteria by considering the data for target as well as RA chemical which was selected on the basis of structural and functional similarity and log Kow as the primary descriptor are as follows:   

Short term toxicity to aquatic invertebrates:

Various predicted data for the target compound 4,5-dihydro-5-oxo-4-[[4-[[2-(sulphooxy)ethyl]sulphonyl] phenyl]azo]-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid (10149-98-1) and experimental data for supporting weight of evidence studies for its closest read across substance with log Kow as the primary descriptor and on the basis of structural and functional similarity study were reviewed for the toxicity on the invertebrates end point which are summarized as below: 

In a prediction done by SSS (2017), based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the six closest read across substances, toxicity on daphnia magna was predicted for 4,5-dihydro-5-oxo-4-[[4-[[2-(sulphooxy)ethyl]sulphonyl] phenyl]azo]-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid (10149-98-1). Based on the intoxication of test organism the EC50 value was estimated to be 51.9 mg/l when4,5-dihydro-5-oxo-4-[[4-[[2(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid exposed to daphnia magna for 48 hrs. Based on this value it can be concluded that the substance 4,5-dihydro-5-oxo-4-[[4-[[2-(sulphooxy) ethyl]sulphonyl]phenyl]azo]-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid is considered to be toxic to aquatic environment and can be classified as aquatic chronic 3 category as per the criteria mentioned in CLP regulation.      

First predicted study was supported by the structurally similar read across chemical (68391-31-1) study were to determine the toxicity of a chemical. Determination of the inhibition of the mobility of daphnids was carried out with the substance N,N,N-trimethyl-3-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]anilinium chloride (Basic yellow 57) according to OECD Guideline 202. The test substance was tested at the concentrations 0, 10, 17, 29, 50 and 85 mg/L. Effects on immobilisation were observed for 48 hours. The median effective concentration (EC50) for the test substance, N,N,N-trimethyl-3-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]anilinium chloride (Basic yellow 57), in Daphnia magna was determined to be 35.6 mg/L and also the substance was to be not rapidly degradable. Thus considering the Criteria for aquatic classification of the substance, it is concluded that the substance N,N,N-trimethyl-3-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]anilinium chloride exhibits toxicity to aquatic invertebrate (Daphnia magna) and classified in the chronic 3 classification category.

Similarly by considering another functional similar RA chemical (633-96-5) from Journal of Hazardous Materials, 2014 study was carried out. Short term toxicity study to Daphnia similis was carried out for 48 hrs. Neonates of less than 24 h old isolated from Daphnia culture were used for the study. Five test organisms were placed in each screw cap tubes, filled with 10 mL solution, and then incubated at 21±0.3°C in the dark. After 48 h of exposure, the number of immobile organisms was recorded. Jspear software was used to calculate the median 50% immobilization concentration (EC50). Based on immobilization of test organism by test chemical Acid Orange 7, the EC50 value was determine to be 87 mg/l along with confidence interval (p – 0.05) of 76-99 mg/l. based on the EC50 it can be concluded that the chemical was toxic to aquatic invertebrates and can be classified as aquatic chronic 3 category as per the CLP classification criteria.

 

On the basis of above results for target chemical 4,5-dihydro-5-oxo-4-[[4-[[2-(sulphooxy)ethyl]sulphonyl] phenyl]azo]-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid (10149-98-1) (from OECD QSAR toolbox version 3.3) and for its read across substance from ABITEC 2016 and Journal of Hazardous Materials, 2014 it can be concluded that the test substance chemical 4,5-dihydro-5-oxo-4-[[4-[[2-(sulphooxy)ethyl] sulphonyl] phenyl]azo]-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid is toxic to aquatic environment and can classified as aquatic chronic 3 category per the criteria mentioned in CLP regulation.       

 

Toxicity to aquatic algae and cyanobacteria:

Various predicted data for the target compound 4,5-dihydro-5-oxo-4-[[4-[[2-(sulphooxy)ethyl]sulphonyl] phenyl]azo]-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid (10149-98-1) and experimental data for supporting weight of evidence studies for its closest read across substance with log Kow as the primary descriptor and on the basis of structural and functional similarity study were reviewed for the toxicity on the aquatic algae end point which are summarized as below: 

In a prediction done by SSS (2017), based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, toxicity on Pseudokirchneriella subcapitata (previous names: Raphidocelis subcapitata, Selenastrum capricornutum) was predicted for 4,5-dihydro-5-oxo-4-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl] azo]-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid (10149-98-1). Based on the growth rate inhibition of algae, the EC50 value was estimated to be 24.268 mg/l when 4,5-dihydro-5-oxo-4- [[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid exposed to Pseudokirchneriella subcapitata for 72hrs. Based on this value it can be concluded that the substance 4,5-dihydro-5-oxo-4-[[4-[[2-(sulphooxy) ethyl]sulphonyl]phenyl]azo]-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid is considered to be toxic to aquatic environment and can be classified as aquatic chronic 3 category per the criteria mentioned in CLP regulation. 

 

First predicted study was supported by the structurally similar read across chemical (12225-21-7) from ABITEC report. Freshwater algal growth inhibition test was carried out on Desmodesmus subspicatus with the substance aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro -1H-pyrazol-4-yl]diazenyl}benzenesulfonate). Test was performed according to OECD Guideline 201. The stock solution 130 mg/l was prepared by dissolving dark yellow powder in OECD growth medium. The test solution was kept for 30 min in ultrasonic bath. Test solutions of required concentration were prepared by mixing the stock solution of the test sample with OECD growth medium and inoculum culture. Tested conducted at the concentrations 0, 2.6, 5.6, 12, 27, 59, 130 mg/l. Effects on the growth rate of the organism were studied. The median effective concentration (ErC50) for the test substance, aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro -1H-pyrazol-4-yl]diazenyl} benzenesulfonate), in Desmodesmus subspicatus was determined to be 74.2 mg/L on the basis of growth rate inhibition. This value indicates that the substance is likely to be hazardous to aquatic algae and can be classified as aquatic chronic 3 category as per the CLP criteria.

 

Similarly by considering another functional similar RA chemical N,N,N-trimethyl-3-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]anilinium chloride (Basic yellow 57) (68391-31-1) from ABITEC report 2016 toxicity was measured. Freshwater algal growth inhibition test was carried out on Desmodesmus subspicatus with the substance N,N,N-trimethyl-3-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H- pyrazol-4-yl) diazenyl]anilinium chloride (Basic yellow 57) according to OECD Guideline 201. The test substance was dissolved in OECD growth medium and tested at the concentrations 0, 10, 17, 29, 50 and 85 mg/L. Effects on the growth rate of the organism were studied. The median effective concentration (ErC50) for the test substance, N,N,N-trimethyl-3-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]anilinium chloride (Basic yellow 57), in Desmodesmus subspicatus was determined to be 67.9 mg/L and also the substance was not rapidly degradable. Thus considering the CLP criteria for aquatic classification of the substance, it is concluded that N,N,N-trimethyl-3-[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H- pyrazol-4-yl)diazenyl] anilinium chloride (Basic yellow 57) exhibits toxicity to aquatic algae (Desmodesmus subspicatus) in the chronic 3 classification category.

 

In the fourth weight of evidence study from ABITEC report for the read across chemical (2519-30-4) it can be consider that the chemical was toxic to aquatic algae. Freshwater algal growth inhibition test was carried out on Desmodesmus subspicatus with the substance tetrasodium 1-acetamido-2-hydroxy-3-(4-((4-sulphonatophenylazo) -7- sulphonato-1-naphthylazo))naphthalene-4,6-disulphonate. Test was performed according to OECD Guideline 201. The stock solution 100 mg/l was prepared by dissolving black powder in OECD growth medium. Test solutions of required concentration were prepared by mixing the stock solution of the test sample with OECD growth medium and inoculum culture. Tested conducted at the nominal concentrations 0, 12, 20, 35, 60, 100 mg/l. Effects on the growth rate of the organism were studied. The median effective concentration (ErC50) for the test substance, tetrasodium 1-acetamido-2-hydroxy-3-(4-((4-sulphonatophenylazo) -7-sulphonato-1-naphthylazo)) naphthalene- 4,6-disulphonate (2519-30-4) in Desmodesmus subspicatus was determined to be 74.2 mg/L on the basis of growth rate inhibition. This value indicates that the substance is likely to be hazardous to aquatic algae and can be classified as aquatic chronic 3 category as per the CLP classification criteria.

On the basis of above results for target chemical 4,5-dihydro-5-oxo-4-[[4-[[2-(sulphooxy)ethyl]sulphonyl] phenyl]azo]-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid (10149-98-1) (from OECD QSAR toolbox version 3.3) and for its read across substance from ABITEC reports 2016, it can be concluded that the test substance chemical 4,5-dihydro-5-oxo-4-[[4-[[2-(sulphooxy)ethyl] sulphonyl] phenyl]azo]-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid is toxic to aquatic environment and can classified as aquatic chronic 3 category per the criteria mentioned in CLP regulation.       

Based on the studies on both aquatic test organisms, it can be concluded that the test substance chemical 4,5-dihydro-5-oxo-4-[[4-[[2-(sulphooxy)ethyl] sulphonyl] phenyl]azo]-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid is toxic to aquatic environment and can classified as aquatic chronic 3 category per the criteria mentioned in CLP regulation.