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Environmental fate & pathways

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Description of key information

Stability

Hydrolysis

The hydrolysis study of disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3- [[2-(sulphonatooxy)ethyl] sulph onyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate was predicted using OECD QSAR toolbox version 3.3 (2017) to predict the hydrolysis half-life of test compound disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-(sulphona tooxy) eth yl] sulphonyl]phe nyl] amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate (CAS No.84000-63-5).The half-life of disodium 2-[[5-carbamoyl-1- ethyl-1,6-dihydro -2-hydroxy-4-methyl-6- oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-(sulphonatooxy)ethyl] sulphonyl]phenyl]amino]-1,3,5-triazi n-2-yl]amino]benzenesulphonate was estimated to be 146.31 days at temperature 25 degC, indicating that the substance disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hy droxy-4-methyl -6-oxo-3-pyridyl] azo]-4-[[4-chloro- 6-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate is not hydrolysable.

Biodegradation

Biodegradation in water

Biodegradability of Disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-(sulphonatooxy) ethyl]sulph onyl] phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate (CAS No. 84000 -63 -5) was predicted using OECD QSAR toolbox version 3.3 (2017) with logKow as the primary descriptor. Test substance undergoes 26.79% degradation by CO2 evolution parameter in 28 days. Thus, based on percentage degradation, the test chemical Disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro- 6-[[3-[[2-( sulph onatooxy)ethyl]sulphonyl] phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate was estimated to be not readily biodegradable in water.

Biodegradation in water and sediment

Estimation Programs Interface (EPI Suite, 2017) prediction model was run to predict the half-life in water and sediment for the test compound Disodium 2-[[5-carbamoyl -1-ethyl-1,6-dihydro-2-hydroxy- 4-methyl-6-oxo-3-pyridyl]azo]-4 -[[4-chloro-6-[[3-[[2-(sulphonatooxy) ethyl]sulphonyl]phenyl]amino] -1,3,5-tria zin-2-yl]amino]benzene sulphonate (CAS No. 84000 -63 -5). Estimated half life of test chemical Disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro -2-hydroxy-4- methyl -6-oxo-3-pyridyl]azo]-4-[[4-chloro-6- [[3-[[2- (sulphonatooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate in water was 180 days (4320 h) and in sediment estimated to be 1620.833 days (38900 h).

Biodegradation in soil

Biodegradation half-life of test substance disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2- (sulphonato oxy)ethyl] sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate in soil was estimated to be 360 days (8640 hrs).

Bioaccumulation: aquatic / sediment

The bioconcentration factor (BCF) for disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl -6-oxo-3-pyridyl]azo]- 4-[[4-chloro-6-[[3-[[2- (sulphona tooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate is not conducted since the substance has low potential for bioaccumulation based on the Log Kow of -3.19

Transport and distribution

Adsorption

The Soil Adsorption Coefficient (Koc) of disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-( sulphonatooxy )ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate was estimated using the EPI suite KOCWIN Program (v2.00). The Soil Adsorption Coe fficient (Koc) of disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-(sulphonato oxy)ethyl]sulphonyl] phenyl] amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate was estimated as 179 L/kg (log Koc = 2.253) by means of MCI method. The results indicate that the chem ical disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-(sulphonatooxy) ethyl]sulphonyl]phenyl] am ino] -1,3, 5-tri azin-2-yl]amino]benzenesulphonate (CAS No.84000-63-5) is likely to to show low tendency of sorption to soil and sediment and show moderate migration potential to groundwater.

Additional information

Stability

Hydrolysis

In a different studies,disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl] phenyl]amino]-1,3,5-triazin-2-yl]amino]benzene sulphonate(CAS No.84000-63-4) has been investigated for its hydrolysis potential to a greater or lesser extent. These include predicted and experimental study for target substancedisodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4- [[4-chloro-6-[[3-[[2-(sulphonatooxy)ethyl] sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate (CAS No.84000-63-5) and for its closest read across substance disodium 6-hydroxy-5-[(2-methoxy-4-sulphonato-m-tolyl)azo]naphthalene-2-sulphonate (CAS No.- 25956 -17 -6) by considering its structure-activity relationships, were reviewed and are summarized as follows: 

 

The hydrolysis study of disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4 -methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3- [[2-(sulphonatooxy)ethyl] sulph onyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benz enesulphonate was predicted using OECD QSAR toolbox version 3.3 (2017) to predict the hydrolysis half-life of test compound disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phe nyl]amino]-1,3,5-triazin-2-yl]ami no]benzenesulphonate (CAS No.84000-63-5).The half-life of disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6- oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-(sulphonatooxy)ethyl] sulphonyl] phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate was estimated to be 146.31 days at tempe rature 25 degC, indicating that the substance disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro- 6-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl] phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate is not hydrolysable. 

 

Supported by the study from an authoritative database (Hazardous Substances Data Bank (HSDB, 2017) for a read across substance disodium 6-hydroxy-5- [(2-methoxy-4-sulphonato-m-tolyl)azo]naphthalene-2-sulphonate (CAS No.- 25956 -17 -6).The substance disodium 6-hydroxy-5-[(2-methoxy-4-sulphonato -m- tolyl)azo]naphthalene-2-sulphonate (Allura Red AC dye) (CAS No.- 25956 -17 -6) is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions. 

 

Based on the above available studies for the target and read across substance, it can be concluded that the test substance disodium 2-[[5-carbamoyl-1- ethyl- 1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2 -(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl] amino] benzenesulphonate (CAS No.84000-63-5) is not expected to undergo hydrolysis in the environment i.e., it is not hydrolysable.

Biodegradation

Biodegradation in water

Predicted data for the target compound Disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate (CAS No. 84000-63-5) and various supporting weight of evidence studies for its closest read across substance with logKow as the primary descriptor were reviewed for the biodegradation end point which are summarized as below:

 

In a prediction done by SSS (2017) using OECD QSAR toolbox version 3.3 with logKow as the primary descriptor, percentage biodegradability of test chemical Disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate (CAS No. 84000-63-5) was estimated.Test substance undergoes 26.79% degradation by CO2 evolution parameter in 28 days. Thus, based on percentage degradation, the test chemical Disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate was estimated to be not readily biodegradable in water.

 

In a supporting weight of evidence study from authoritative database (J-CHECK, 2017) for the read across chemical 1,3,5-tris(3,5-di-tert-butyl-4-hydroxybenzyl)-1,3,5-triazinane-2,4,6-trione (CAS no. 27676-62-6),biodegradation experiment was conducted for 28 days for evaluating the percentage biodegradability of read across substance 1,3,5 -tris(3,5 -di-tert-butyl-4 -hydroxybenzyl)-1,3,5 -triazinane-2,4,6 –trione. Concentration of inoculum i.e, sludge used was 30 mg/l and initial test substance conc. used in the study was 100 mg/l, respectively. The percentage degradation of substance 1,3,5 -tris(3,5 -di-tert-butyl-4 -hydroxybenzyl)-1,3,5 -triazinane-2,4,6 -trione was determined to be 0 and 1% by BOD and HPLC parameter in 28 days. Thus, based on percentage degradation,1,3,5 -tris(3,5 -di-tert-butyl-4 -hydroxybenzyl)-1,3,5 -triazinane-2,4,6 -trione is considered to be not readily biodegradable in nature.

 

For the same read across chemical1,3,5-tris(3,5-di-tert-butyl-4-hydroxybenzyl)-1,3,5-triazinane-2,4,6-trione (CAS no. 27676-62-6), biodegradation study was conducted for 28 days for evaluating the percentage biodegradability of read across substance 1,3,5 -tris(3,5 -di-tert-butyl-4 -hydroxybenzyl)-1,3,5 -triazinane-2,4,6 –trione(HPVIS, 2016). The study was performed according to OECD Guideline 301 B (Ready Biodegradability: CO2 Evolution Test). Fresh sewage treatment plant sample was used as a test inoculum. Initial test substance conc. used in the study were 10 and 20 mg/l, respectively. Water was used as a vehicle as specified in the guideline containing 0.5 ml of the Nonylphenol 10E05P0 solution. The only deviation from the guideline method is the volume of the test solution was reduced from 3.0 L to 1.5L. The carbon dioxide formed by biodegradation was absorbed with NaOH and determined on a carbon analyser. The percentage degradation of substance 1,3,5 -tris(3,5 -di-tert-butyl-4 -hydroxybenzyl)-1,3,5 -triazinane-2,4,6 -trione was determined to be 0 and 7% by CO2 evolution  parameter in 28 days. Thus, based on percentage degradation,1,3,5-tris(3,5-di-tert-butyl-4-hydroxybenzyl)-1,3,5-triazinane-2,4,6-trione is considered to be not readily biodegradable in nature.

 

Another biodegradation study was conducted for 28 days for evaluating the percentage biodegradability of read across substance methylene bis[dibutyl(dithiocarbamate)] (CAS No. 10254-57-6) (HPVIS, 2016). The study was performed according to OECD Guideline 301 B (Ready Biodegradability: CO2 Evolution Test) under aerobic conditions at a temperature of 21°C. Activated sludge, domestic was used as a test inoculum. Initial test substance conc. used in the study were 10 mg/l, respectively. Control solutions with inoculum and the standard material, sodium benzoate, together with a toxicity control were used for validation purposes. Benzoic acid, sodium salt was used as a positive control. The degradation of the test material was assessed by the determination of carbon dioxide produced. Benzoic acid, sodium salt undergoes 50% degradation in 28 days. The percentage degradation of read across substance methylene bis[dibutyl(dithiocarbamate)] was determined to be 5, 7, 19 and 21% by CO2 evolution  parameter in 6, 14, 20 and 28 days, respectively. Thus, based on percentage degradation, methylene bis[dibutyl(dithiocarbamate)] is considered to be not readily biodegradable in nature.

 

On the basis of above results for target chemical Disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate (from OECD QSAR toolbox version 3.3, 2017) and for its read across substance (from authoritative database J-CHECK and secondary source HPVIS), it can be concluded that the test substance Disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate can be expected to be not readily biodegradable in nature.

Biodegradation in water and sediment

Estimation Programs Interface (EPI Suite, 2017) prediction model was run to predict the half-life in water and sediment for the test compound Disodium 2-[[5-carbamoyl -1-ethyl-1,6-dihydro-2-hydroxy- 4-methyl-6-oxo-3-pyridyl]azo]-4 -[[4-chloro-6-[[3-[[2-(sulphonatooxy) ethyl]sulphonyl]phenyl]amino] -1,3,5-triazin-2-yl]amino]benzene sulphonate (CAS No. 84000 -63 -5). If released in to the environment, 11.9% of the chemical will be partition into water according to the Mackay fugacity model level III and the half-life period of disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-(sulphonatooxy) ethyl]sulphonyl]phenyl] ami no]-1,3,5-triazin-2-yl]amino]benzenesulphonate in water is estimated to be 180 days (4320 hrs). The half-life (180 days estimated by EPI suite) indicates that the chemical is very persistent in water whereas the exposure risk to aquatic animals is moderate to low. Whereas the half-life period of disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro- 2-hydroxy-4 -methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-(sulphonatooxy)ethyl] sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate in sediment is estimated to be 1620.833 days (38900 hrs). However, as the percentage release of test chemical into the sediment is less than 1% (i.e, reported as 0.143%), indicates that disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3- pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-(sulphonatooxy) ethyl]sulphonyl] phenyl]amino]-1,3,5-triazin-2-yl] amino]benzenesulphonate is not persistent in sediment.

Biodegradation in soil

The half-life period of disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-(sulphonatooxy)ethyl] sulphonyl]phenyl] amino]-1,3,5 -triazin-2 -yl]amino]benzenesulphonate(CAS No. 84000 -63 -5) in soil was estimated using Level III Fugacity Model by EPI Suite version 4.1 estimation database (EPI suite, 2017). If released into the environment, 88% of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl]azo]-4- [[4-chloro-6-[[3-[[2-(sulphonatooxy) ethyl]sulphonyl]phenyl]amino]-1,3,5- triazin-2-yl]amino] benze nesulphonatein soil is estimated to be 360 days (8640 hrs). Based on this half-life value of disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate, it is concluded that the chemical is persistent in the soil environment and the exposure risk to soil dwelling animals is moderate to high.

On the basis of available information, the test substance 2-[(5-carbamoyl-1-ethyl-2-hydroxy-4-methyl-6-oxo-1,6-dihydropyridin-3-yl)diazenyl]-4-({4-chloro-6-[(3-{[2-(sulfonatooxy)ethyl]sulfonyl}phenyl)amino]-1,3,5-triazin-2-yl}amino)benzenesulfonate can be considered to be not readily biodegradable in nature.

Bioaccumulation: aquatic / sediment

The bioconcentration factor (BCF) for disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl -6-oxo-3-pyridyl]azo]- 4-[[4-chloro-6-[[3-[[2- (sulphona tooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate is not conducted since the substance has low potential for bioaccumulation based on the Log Kow of -3.19

Transport and distribution

Adsorption

In a different studies, disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-(sulphonatooxy)ethyl] sulph onyl] phenyl]amino]-1,3,5-triazin-2-yl]amino]benzene sulphonate(CAS No.84000-63-4) has been investigated for its soil adsorption potential to a greater or lesser extent. These include predicted and experimental study for target substance disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2- hydroxy-4- methyl- 6-oxo- 3-pyridyl] azo]-4- [[4-chloro-6-[[3-[[2-(sulphonatooxy)ethyl] sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate (CAS No.84000- 63-5) and for its closest read across substance disodium 6-hydroxy-5-[(2-methoxy-4-sulphonato-m-tolyl)azo]naphthalene-2-sulphonate (CAS No.- 25956 -17 -6) by consid ering its structure-activity relationships, were reviewed and are summarized as follows: 

 

The Soil Adsorption Coefficient (Koc) of disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-( sulphonatooxy )ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate was estimated using the EPI suite KOCWIN Program (v2.00). The Soil Adsorption Coe fficient (Koc) of disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-(sulphonato oxy)ethyl]sulphonyl] phenyl] amino]-1,3,5-triazin-2-yl]amino]benzenesulphonate was estimated as 179 L/kg (log Koc = 2.253) by means of MCI method. The results indicate that the chemical disodium 2-[[5-carbamoyl-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-(sulphona tooxy)ethyl]sulphonyl]phenyl] am ino] -1,3, 5-tri azin-2-yl]amino]benzenesulphonate (CAS No.84000-63-5) is likely to to show low tendency of sorption to soil and sediment and show moderate migration potential to groundwater.

 

Moreover, based on the study from an authoritative database (Hazardous Substances Data Bank (HSDB, 2017) for a read across substance disodium 6-hydroxy-5- [(2-methoxy-4-sulphonato-m-tolyl)azo]naphthalene-2-sulphonate (CAS No.- 25956 -17 -6),the soil adsorption/mobility of disodium 6-hydroxy- 5-[(2-methoxy-4-sulphonato-m-tolyl)azo]naphthalene-2-sulphonate (CAS No.-25956-17-6) was determined. Disodium 6-hydroxy-5-[(2-methoxy-4-sulphonato- m-tolyl)azo]naphthalene-2-sulphonate (Allura Red AC dye) is expected to be mobile in soil; this compound will almost entirely exist in anion form in the enviro nment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts.

 

Based on the above studies for target substance and to its read across substance, it can be concluded that the chemical disodium 2-[[5-carbamoyl-1-ethyl- 1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridyl] azo]-4-[[4-chloro-6-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl] am ino] -1,3, 5-tri azin-2-yl]amino]benzene sulphonate (CAS No.84000-63-5) is likely to to show low tendency of sorption to soil and sediment and show moderate migration potential to groundwater.