7-[[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[4-[vinylsulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid, sodium salt

Endpoint summary

Additional information

Hydrolysis

Based on the QSAR prediction done using the EPI Suite HYDROWIN Program (v2.00), the half-life of hydrolyzable functional group urea of the test substance1,3,6-Naphthalenetrisulfonic acid,7-((2-((aminocarbonyl)amino)-4-((4-chloro-6-((4-(ethenylsulfonyl)phenyl)amino)-1,3,5-triazin-2-yl)

amino)phenyl)azo)-, sodium saltwas estimated to be > 1 year. Thus, based on this value, the substance was found to be not hydrolyzable.

Biodegradation

Biodegradation in water

The predicted data for the test compoundsubstance 7-[[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[4-

[vinylsulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid, sodium salt (CAS No. 94158 -80 -2) and the study of its read across substancewere reviewed for the biodegradation end point which are summarized as below:

Estimation Programs Interface Suite (EPI suite, 2016) was run to predict the biodegradation potential of the test compound 7-[[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[4-[vinylsulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid, sodium salt (CAS No. 94158 -80 -2). The screening test ready biodegradability of the substance was calculated using the software BIOWINv4.10. The results indicate that the test chemical is expected to be not readily biodegradable in nature.

Biodegradation in water ability was predicted (SSS QSAR prediction model, 2016) for the test7-[[2-[(aminocarbonyl)amino]-4-[[4-

chloro-6-[[4-[vinylsulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid, sodium salt (CAS No. 94158 -80 -2) using the SSS QSAR prediction model. The ready biodegradability of the test substance 7-[[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[4-[vinylsulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid, sodium salt was estimated as 11.68% in 28 days. This result indicates that 7-[[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[4-[vinylsulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid, sodium salt was estimated to be not readily biodegradable in water.

Biodegradation study (J-CHECK, 2016) was conducted for 28 days for evaluating the percentage biodegradability of test substance Direct Yellow 50. Concentration ofinoculum i.e, sludge used was 30 mg/l and initial test substance conc. used in the study was 100 mg/l. The percentage degradation of test substance was found to be 0% by BOD and HPLC and 13% by TOC. Thus, the substance Direct Yellow 50 is expected to be not readily biodegradable in water.

 

Biodegradation study (EnviChem, 2014) was conducted for 14 days for evaluating the percentage biodegradability of test substance Urea J Acid. Concentrationof inoculum i.e, sludge used was 30 mg/l and initial test substance conc. used in the study was 100 mg/l. The percentage degradation of test substance was found to be 0% by BOD. Thus, the substance Urea J Acid is expected to be not readily biodegradable in water.

On the basis of above results of target and its read across substance, it can be concluded that the test substance 7-[[2-[(aminocarbonyl)amino]-4-[[4-chloro-

6-[[4-[vinylsulphonyl]phenyl]amino]- 1,3,5-triazin-2-yl]amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid, sodium salt can be expected to be not readily biodegradable in nature.

Biodegradation in water and sediment

Estimation Programs Interface (EPI) Suite (2016) prediction model was run to predict the half-life in water and sediment for the test compound 1,3,6-Naphthalenetrisulfonic acid,7-((2-((aminocarbonyl)amino)-4-((4-chloro-6-((4-(ethenylsulfonyl)phenyl)amino)-1,3,5-triazin-2-yl)

amino)phenyl)azo)-, sodium salt(CAS No. 94158 -80 -2). Half-life of 1,3,6 -Naphthalenetrisulfonic acid,7 -((2 -((aminocarbonyl)amino)-4 -((4 -chloro-

6-((4-(ethenylsulfonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)phenyl)azo)-,sodium salt in water is estimated to be 180 days (4320 h)

while in sediment it is 1620.83 days (38900 hrs). Based on these half-life value of 1,3,6 -Naphthalenetrisulfonic acid,7 -((2 -((aminocarbonyl)amino)

-4-((4-chloro-6-((4-(ethenylsulfonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)phenyl)azo)-, sodium salt, it is concluded that the chemical is persistent

in both water and sediment.

Biodegradation in soil

Based on EPI prediction Level III Fugacity Model (EPI suite, 2016), the estimated half-life period of 1,3,6-Naphthalenetrisulfonic acid, 7-((2-((aminocarbonyl)amino)-4-((4-chloro-6-((4-(ethenylsulfonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)phenyl)azo)-, sodium salt (CAS no. 94158 -80 -2) in soil was obtained to be 360 days (8640 hrs). Based on this half-life value of 1,3,6-Naphthalenetrisulfonic acid,7-((2-((aminocarbonyl)

amino)-4-((4-chloro-6-((4-(ethenylsulfonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)phenyl)azo)-, sodium salt, it is concluded that the chemical is

highly persistent in the soil environment.

On the basis of available information, the test substance7-[[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-

[[4-[vinylsulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid, sodium saltcan be considered to be not readilybiodegradable in nature.

Bioaccumulation: aquatic/sediment

The estimated bioconcentration factor (BCF) for 1,3,6-Naphthalenetrisulfonic acid, 7-((2-((aminocarbonyl)amino)-4-((4-chloro-6-((4-(ethenylsulfonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)phenyl)azo)-, sodium salt is 3.162 L/kg, that does not exceed the bioconcentration threshold of 2000 L/kg. Thus based on the classification criteria for BCF, it is concluded that the test substance is not expected to bioaccumulate in the food chain.

Adsorption / desorption

Various data for the test compound 1,3,6-Naphthalenetrisulfonic acid, 7-((2-((aminocarbonyl)amino)-4-((4-chloro-6-((4-(ethenylsulfonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)phenyl)azo)-, sodium salt (CAS No. 94158-80-2) and the study for its read across substance was reviewed for the adsorption end points which are summarized as below:

From EPI suite prediction model the soil adsorption coefficient (Koc) value of1,3,6-Naphthalenetrisulfonic acid, 7-((2-((aminocarbonyl)amino)-4-((4-chloro-6-((4-(ethenylsulfonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)phenyl)azo)-, sodium salt is estimated to be 25780000 L/kg (Log Koc=7.41128) indicating that it is has a high sorption to soil and sediment and therefore have negligible migration i.e. non mobile potential to groundwater.

Other read across substance Direct Yellow 50 (Cas no. 3214-47-9)study suggest the Removal of direct dyes direct yellow 50 (DY50) from an aqueous solution by different adsorbents such as activated carbon, raw kaolinite and montmorillonite was investigated.Parameters of the Langmuir isotherm have been determined using the adsorption data.

The adsorption isotherm data were fitted to the Langmuir isotherm. Parameters of the Langmuir isotherm have been determined using the adsorption data.The maximum wavelengths (λmax) and extinction coefficients (ε) of prepared dye solution was determined.The equilibrium concentrations of dyes were determined by a UV-visible spectrometer (Shimadzu UV 160).

At the end of the experiment it is observed that the Maximum adsorption capacities for test substance Direct Yellow 50 (DY50)of the adsorbents increased and followed the order: RAC>KC>HAC>MC (no absorption) with removal % as 97,30,8 and no adsorption respectively. (Polish Journal of Environmental Studies Vol. 15, No. 1 (2006), 155-161)

Wheras other experimental study from Baghdad Science Journal;Vol.12(1)2015 for same read across indicate that the organoclay is an effective adsorbent for the removal of synthetic yellow dye DY50 from aqueous solutions. The amount of dye adsorbed is dependent on amount of the adsorbent USED and increased slightly in lower pH (pH = 3), in the studied dye concentration range. With the increase in the temperature, the amount adsorbed dye increased, indicating that the adsorption of dye onto organoclay is an endothermic process. The best correlation was obtained using the pseudo-second -order, second-order kinetic model. Equilibrium data were also fitted well to the Freundlich isotherm model for low initial dye concentrations.

Thus based on the above available data it is concluded that the test substance 1,3,6-Naphthalenetrisulfonic acid, 7-((2-((aminocarbonyl)amino)-4-((4-chloro-6-((4-(ethenylsulfonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)phenyl)azo)-, sodium salt (CAS No. 94158-80-2) have tendency to high adsorption in soil.