2-chlorobenzene-1,4-diammonium sulphate

Endpoint summary

Description of key information

Stability:

Hydrolysis:

The half life of hydrolysis of test chemical 2-chlorobenzene-1,4-diammonium sulphate (CAS no. 6219 -71 -2) was estimated by uisng OECD QSAR tool box v3.3 and

by considering five closest read across chemical with log Kow as primary descriptor. The half life of hydrolysis of test chemical  2-chlorobenzene-1,4-diammonium sulphate was estimated to be 127.91 days. On the basis of this half life value it is concluded that this test chemical is shows negligible hydrolysis that means it not hydrolysable.

Biodegradation:

Bioadegradation in water:

Biodegradability of test chemical 2-chlorobenzene-1,4-diammonium sulphate (CAS no. 6219 -71 -2) was estimated by uisng OECD QSAR tool box v3.3 and by considering seven closest read across chemicals with log Kow as primary descriptor. Percent degradation of test chemical  2-chlorobenzene-1,4-diammonium sulphate was determined to be 1.18% on the basis of BOD as parameter and microorganisms as inoculum in 28 days. On the basis of this percentbiodegrdadability value it is concluded that this test chemical is not readily biodegradable.

Bioadegradation in water and sediments:

Estimation Programs Interface (EPI Suite, 2017) prediction model was run to predict the half-life in water and sediment for the test compound 2-chlorobenzene-1,4-diammonium sulphate (CAS no.6219 -71 -2) . If released in to the environment, 23.6 % of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of test chemical in water is estimated to be 37.5 days (360 hrs). The half-life (37.5 days estimated by EPI suite) indicates that the chemical is not persistent in water and the exposure risk to aquatic animals is low whereas the half-life period of test chemical 2-chlorobenzene-1,4-diammonium sulphate in sediment is estimated to be 337.5 days (8100 hrs). However, as the percentage release of test chemical into the sediment is less than 1 % (i.e, reported as 0.0879 %), indicates that test chemical 2-chlorobenzene-1,4-diammonium sulphate is not persistent in sediment as well.

Biodegradation in soil:

The half-life period of test chemical 2-chlorobenzene-1,4-diammonium sulphate (CAS no.6219 -71 -2) 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, 76.4 % of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of test chemical 2-chlorobenzene-1,4-diammonium sulphate in soil is estimated to be 75 days (1800 hrs). Based on this half-life value of test chemical 2-chlorobenzene-1,4-diammonium sulphate , it is concluded that the chemical is not persistent in the soil environment and the exposure risk to soil dwelling animals is low.

Bioaccumulation:

Bioaccumulation:aquatic/sediments:

Using BCFBAF Program (v3.00) model of EPI suite 2017 the estimated bio concentration factor (BCF) for 2-chlorobenzene-1,4-diammonium sulphate (CAS No. 6219-71-2) is 3.162 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical 2-chlorobenzene-1,4-diammonium sulphate is non bioaccumulative in food chain.

Additional information

Stability :

Hydrolysis:

Predicted data study for target chemical 2-chlorobenzene-1,4-diammonium sulphate (CAS no. 6219 -71 -2) and experimental study for its structurally similar read across chemical are summarized below for hydrolysis enpoint.

In predicted data study the half life of hydrolysis of test chemical 2-chlorobenzene-1,4-diammonium sulphate (CAS no. 6219 -71 -2) was estimated by using OECD QSAR tool box v3.3 and

by considering five closest read across chemical with log Kow as primary descriptor. The half life of hydrolysis of test chemical  2-chlorobenzene-1,4-diammonium sulphate was estimated to be 127.91 days. On the basis of this half life value it is concluded that this test chemical is shows negligible hydrolysis that means it not hydrolysable.

Next the supporting experimental study was done from authoritative database (HSDB, 2017) i this study the hydrolysis rate constant of read across chemical 4-aminobenzenesulfonic acid obtained was 2.9X10+9 L/mol-sec L/mol/sec The half life of hydrolysis obtained at pH 7 was 276 days . Since half life of hydrolysis  is more than 10 days so it is concluded that read across chemical 4-aminobenzenesulfonic acid shows negligible hydrolysis that means it is not hydrolysable.

On the basis of both the studies mentioned above it can be concluded that this test chemical 2-chlorobenzene-1,4-diammonium sulphate (CAS no. 6219 -71 -2)

is not hydrolysable.

Biodegradation:

Bioadegradation in water:

Two predicted data studies for target chemical 2-chlorobenzene-1,4-diammonium sulphate (CAS no. 6219 -71 -2) and three experimental studies for its structurally similar read across chemical have been conducted to biodegradability of test chemical and their results are summarized below

 

In first weight of evidence study the Biodegradability of test chemical 2-chlorobenzene-1,4-diammonium sulphate (CAS no. 6219 -71 -2) was estimated by using OECD QSAR tool box v3.3 and by considering seven closest read across chemicals with log Kow as primary descriptor. Percent degradation of test chemical 2-chlorobenzene-1,4-diammonium sulphate was determined to be 1.18% on the basis of BOD as parameter and microorganisms as inoculum in 28 days. On the basis of this percent biodegrdadability value it is concluded that this test chemical is not readily biodegradable.

 

Next weight of evidence study was done by using Estimation Programs Interface Suite (EPI suite, 2017) to estimate the biodegradation potential of the test compound 2-chlorobenzene-1,4-diammonium sulphate (CAS no. 6219 -71 -2) in the presence of mixed populations of environmental microorganisms. The biodegradability of the substance was calculated using seven different models such as Linear Model, Non-Linear Model, Ultimate Biodegradation Timeframe, Primary Biodegradation Timeframe, MITI Linear Model, MITI Non-Linear Model and Anaerobic Model (called as Biowin 1-7, respectively) of the BIOWIN v4.10 software. The results indicate that chemical  2-chlorobenzene-1,4-diammonium sulphate is expected to be not readily biodegradable.

 

Further, in experimental study Biodegradation test was conducted for 14 days for evaluating the percentage biodegradability of read across substance 2-Amino-5-methylbenzenesulfonic acid from authoritative data base (J check, 2017). In this study the Concentration of 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 read across substance was determined to be 0% by O2 consumption & BOD and < 0 % by TOC removal, Test mat. analysis & UV-Vis in 14 days.

 

Similarly another experimental study was conducted for read across chemical from same source mentioned above (J check, 2017) in this study Biodegradation experiment was conducted for 28 days for evaluating the percentage biodegradability of read across substance Sulfanilic acid. Concentration of inoculum i.e, sludge used was 100 mg/l and initial test substance conc. used in the study was 30 mg/l. The percentage degradation of read across substance was determined to be 3% by BOD, 4% by TOC removal and 1% by HPLC in 28 days.

 

Last weight of evidence study was also done from authoritative database (J check, 2017) for read across chemical in this study the Biodegradation experiment was conducted for 14 days for evaluating the percentage biodegradability of read across substance 2-Amino-5-chloro-4 -methylbenzene sulfonic acid. Concentration of 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 red across substance was determined to be 0% by O2 consumption & BOD, 2% by TOC removal and < 0% by Test mat. analysis & UV-Vis in 14 days.

 

By considering results of all the studies mentioned above it is observed that all the studies have shown percent biodegradability very low therefore it can be concluded that target chemical 2-chlorobenzene-1,4-diammonium sulphate (CAS no. 6219 -71 -2) is not readily biodegradable.

Bioadegradation in water and sediments:

Estimation Programs Interface (EPI Suite, 2017) prediction model was run to predict the half-life in water and sediment for the test compound 2-chlorobenzene-1,4-diammonium sulphate (CAS no.6219 -71 -2) . If released in to the environment, 23.6 % of the chemical will partition into water according to the Mackay fugacity model level III and the half-life period of test chemical in water is estimated to be 37.5 days (360 hrs). The half-life (37.5 days estimated by EPI suite) indicates that the chemical is not persistent in water and the exposure risk to aquatic animals is low whereas the half-life period of test chemical 2-chlorobenzene-1,4-diammonium sulphate in sediment is estimated to be 337.5 days (8100 hrs). However, as the percentage release of test chemical into the sediment is less than 1 % (i.e, reported as 0.0879 %), indicates that test chemical 2-chlorobenzene-1,4-diammonium sulphate is not persistent in sediment as well.

Biodegradation in soil:

The half-life period of test chemical 2-chlorobenzene-1,4-diammonium sulphate (CAS no.6219 -71 -2) 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, 76.4 % of the chemical will partition into soil according to the Mackay fugacity model level III. The half-life period of test chemical 2-chlorobenzene-1,4-diammonium sulphate in soil is estimated to be 75 days (1800 hrs). Based on this half-life value of test chemical 2-chlorobenzene-1,4-diammonium sulphate , it is concluded that the chemical is not persistent in the soil environment and the exposure risk to soil dwelling animals is low.

Bioaccumulation:

Bioaccumulation:aquatic/sediments:

One predicted data study for target chemical 2-chlorobenzene-1,4-diammonium sulphate (CAS No. 6219-71-2) and two experimental studies for its structurally similar read across chemical have been studied and there results are summarized below.

 

First weight of evidence study was done by Using BCFBAF Program (v3.00) model of Estimation Program Interface (EPI suite 2017) the bio concentration factor (BCF) for 2-chlorobenzene-1,4-diammonium sulphate (CAS No. 6219-71-2) was estimated to be 3.162 L/kg wet-wt at 25 deg. c which does not exceed the bioconcentration threshold of 2000. Therefore it is concluded that test chemical 2-chlorobenzene-1,4-diammonium sulphate is non bioaccumulative in food chain.

 

Next weight of evidence study was experimental study done from authoritative database (J check, 2017) in this study Bioaccumulation test was conducted for 28 days for determination the bioconcentration factor (BCF) and lipid content of substance 4-aminobenzenesulfonic acid (Cas no.121-57-3) on test organism Cyprinus carpio. The recovery ratio is given- Fish: 87.5%  And Nominal concentrations used in the study as - 1st concentration area: 1 mg/L, 2nd concentration area: 0.1 mg/L and Range finding study was carried out on Rice fish (Oryzias latipes) and the 96 hr LC50 value was estimated to be 270 mg/L.

By analytical methods, the limit of quantification was determined to be- Test water: (Fish: 340 ng/g) 1st concentration area: 31 µg/l and 2nd concentration area: 3.1µg/l. 

Whereas the lipid content at the start and end of exposure was determined to be 2.14% and 2.05%, respectively.

Thus according to guideline OECD Guideline 305 (Bioconcentration: Flow through Fish Test) the BCF value for read across substance 4-aminobenzenesulfonic acid (Cas no.121-57-3) was observed to be <= 0.34 L/kg at dose concentration 1 mg/L and <= 3.5 L/kg at dose concentration 0.1 mg/L on test organism Cyprinus carpio during 28 day period.These values indicate that the read across substance is not bioaccumulative in fish and food chain.

 

Last weight of evidence study was also experimental study done from same source as mentioned above (J check, 2017) for read across substance. In this study Bioaccumulation experiment was conducted for 6 weeks for determination the bioconcentration factor (BCF) of read across chemical 2-Amino-5-methylbenzenesulfonic acid (CAS no: 88-44-8) on test organism Cyprinus carpio. 

Nominal concentrations used was 1st Concentration area: 2.0 mg/L (w/v), 2nd Concentration area: 0.2mg/L (w/v) and Range finding study was carried out on Rice fish (Oryzias latipes) TLm(48h) 480 ppm(w/v). Thus according to static Fish Test the bioconcentration factor (BCF) for read across chemical 2-Amino-5-methylbenzenesulfonic acid was determined according static fish test. The BCF value was observed to be ≤ 0.4 L/kg at dose concentration 2.0 mg/L and ≤ 4.0 L/kg at dose concentration 0.2 mg/L on test organism Cyprinus carpio during 6 weeks period. Therefore it is concluded that read across chemical 2-Amino-5-methylbenzenesulfonic acid is non-bioaccumulative as these BCF values are far less than 2000 criteria.

 

On the basis of all the studies mentioned above it is observed that BCF value for target chemical 2-chlorobenzene-1,4-diammonium sulphate (CAS No. 6219-71-2) and its read across chemical was very low and far less than 2000 criteria of CLP regulation therefore it is concluded that this test chemical is non-bioaccumulative in nature.