5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride

Endpoint summary

Description of key information

Short term toxicity to fish:

Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the seven closest read across substances, toxicity on Danio rerio predicted for test chemical 5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride. The LC50 value was estimated to be 1370.72 mg/L when 5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride exposed to Danio rerio for 96 hrs.

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 five closest read across substances, toxicity on daphnia magna predicted for test chemical 5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride (CAS no.29508-47-2). The EC50 value was estimated to be 154.304 mg/L when test chemical5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride was exposed to daphnia magna for 48 hrs. On the basis of EC 50 value it is concluded that this test chemical in non toxic to aquatic invertebrates and considered as not classified as per CLP regulation.

Toxicity to aquatic algae and cyanobacteria:

Toxicity of test chemical 5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride (CAS no. 29508-47-2) was estimated by using OECD QSAR tool box v3.3 with log Kow as primary descriptor and considering the six closest read across substances. When test chemical 5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride was exposed for 72 hrs on Pseudokirchneriella subcapitata (previous names: Raphidocelis subcapitata, Selenastrum capricornutum) alga, EC50 value was estimated to be 156.792 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 microorganisms:

Toxicity to microorganism of target chemical 5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride was estimated by using OECD QSAR tool box v3.3 using Log kow as primary descriptor and considering five closest read across substances. IGC50 value of target chemical 5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride was estimated to be 479.796 mg/L when exposed to Tetrahymena pyriformis for 48 hrs.

Additional information

Short term toxicity to fish:

Different predicted data studies for target chemical 5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride from different sources have been conducted to determine short term toxicity to fish which are summarized below.

In first predicted data study toxicity of test chemical 5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride on fish was determined by using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the seven closest read across substances. The LC50 value was estimated to be 1370.72 mg/L when 5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride exposed to Danio rerio for 96 hrs.

In another study the Prediction was done by using Estimation Program Interface (EPI suite,2017) 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, to determine the LC 50 value for short term toxicity to aquatic fish .On the basis of this program, the LC 50 value for short term toxicity to aquatic fish was predicted to be 161.882 mg/l for 5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride in 96 hrs.

On the basis of both the studies mentioned above it is concluded that the substance 5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride is considered to be non toxic to aquatic environment and can be classified in non classified category as per the criteria mentioned in CLP regulation.

Short term toxicity to aquatic invertebrates:

Following studies include the predicted data study for the target chemical and experimental studies for read across chemicals with log Kow as primary descriptor to conclude the toxicity extent of 5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride (CAS no.29508-47-2)towards aquatic invertebrate are summarized as follows:

First weight of study was based on the prediction done by 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 daphnia magna predicted for test chemical 5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride (CAS no. 29508-47-2). The EC50 value was estimated to be 154.304 mg/L when test chemical 5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride was exposed to daphnia magna for 48 hrs.

Another weight of evidence study was experimental study done from Environment International vol. 33 (2007) pg 370–375 in this study short term toxicity to daphnia magna was determined by using test guideline as mentioned in USEPA 2002. The culture water used in test was moderately hard water and daphnia magna were kept in 6L glass jar, fed daily on YTC and photoperiod applied during test was 16L:8D . Temperature during the test was maintained at 20 oC. The EC50 value of read across chemical (Z)-2-cyano-1-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine was determined to be 379.7 in 48 hrs and 271.3 in 96 hrs in daphnia magna. On the basis of these EC 50 values it is concluded that this read across chemical is non toxic to aquatic invertebrate and can be considered in not classified category as per the CLP regulation.

Last weight of evidence stud was done from Ecotox database (2017) in this study the Short term toxicity to aquatic invertebrate Daphnia Magna was determined by exposing it to read across chemical (E)-1-(6-Chloro-3-pyridinylmethyl)-N-nitroimidazolidin-2- ylideneamine (CAS no. 138261-41-3). ET 50 value was determined to be 158 mg/L at 20 oC. Since ET 50 value is greater than 100 mg/L  read across chemical (E)-1-(6-Chloro-3-pyridinylmethyl)-N-nitroimidazolidin-2- ylideneamine is considered as not classified according to CLP classification criteria.

Thus based on the effect concentrations which is in the range 154.304 – 271.3 mg/L give the conclusion that test substance 5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride (CAS no.29508-47-2) was likely to be toxic to aquatic invertebrate at environmentally relevant concentrations and applying weight of evidence approach it can be considered to be “not Classified” as per the CLP classification criteria.

Toxicity to aquatic algae and cyanobacteria:

Results of predicted data study for target chemical 5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride (CAS no. 29508-47-2) and experimental studies for read across chemical have been conducted to determine toxicity to aquatic algae and cyanobacteria endpoint are summarized below.

In first weight of evidence study the toxicity of test chemical 5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride (CAS no. 29508-47-2) was estimated by using OECD QSAR tool box v3.3 with log Kow as primary descriptor and considering the six closest read across substances. When test chemical 5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride was exposed for 72 hrs on Pseudokirchneriella subcapitata (previous names: Raphidocelis subcapitata, Selenastrum capricornutum) alga, EC50 value was estimated to be 156.792 mg/L.

Another weight of evidence study was done by using authoritative database HSDB (2017) for read across chemical in this study the toxicity of read across chemical Benzenemethanol on Haematococcus pluvialis algae was determined on the basis of inhibition of Photosynthesis for 24 hrs. EC50 value was determined to be 2600 mg/L when read across chemical benzenemethanol was exposed to Haematococcus pluvialis (Algae) for 24 hrs.

Next weight of evidence study was done from same source and for same read across chemical as mentioned above (HSDB, 2017) in this study the toxicity of read across chemical Benzenemethanol on Anabaena inaequalis algae was determined on the basis of effect on population (decreased Photosynthesis) for 3 hrs. EC50 value was determined to be greater than 100 mg/L on the basis of effect on population (decreased photosysnthesis ) when read across chemical benzenemethanol was exposed to Anabaena inaequalis (Blue-Green Algae) for 3 hrs.

Last weight of evidence study was done from authoritative database (J Check, 2017) for same read across chemical as mentioned in above both the studies. This study was conducted to determine the toxic nature of read across chemical chemical Benzyl alcohol on the growth of aquatic green algae. Test was performed according to the OECD Guideline 201 (Alga, Growth Inhibition Test). Green algae exposed for 72hrs with the chemical. Test conducted by the static system. After the exposure of chemical, the effect concentration and no observed effect concentration was measured. Based on the growth rate inhibition of green algae the EC50 and NOEC was 770 mg/l and 310 mg/l. Based on the Area under the growth curved (AUG), the EC50 and NOEC was 500 and 310 mg/l by the exposure of chemical Benzyl alcohol for 72hrs. Thus it was concluded that the chemical was nontoxic and can be consider to be not classified as per the CLP classification criteria.

Thus based on the effect concentrations it is concluded that test substance 5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride (CAS no. 29508-47-2)was likely to be not toxic to aquatic invertebrate at environmentally relevant concentrations and applying weight of evidence approach it can be considered to be “not Classified” as per the CLP classification criteria.

Toxicity to microorganisms:

Predicted data study for target chemical 5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride and experiment studies have been carried out for its read across chemicals for toxicity to microorganism endpoint and results of all the studies are summaried below.

In first study the toxicity to microorganism of target chemical 5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride was estimated by using OECD QSAR tool box v3.3 using Log kow as primary descriptor and considering five closest read across substances. IGC50 value of target chemical 5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride was estimated to be 479.796 mg/L when exposed to Tetrahymena pyriformis for 48 hrs.

Another study was supporting study in this study the toxicity to microorganisms of read across chemical benzenemethanol was determined on the basis of effect on decreased population growth. IC50 value of target chemical benzenemethanol was estimated to be 853.470 mg/L when exposed to Tetrahymena pyriformis for 48 hrs.

On the basis of both the studies mentioned above it is concluded that test chemical chemical 5-[[p-(benzylmethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium chloride is not toxic to microorganisms.