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Bioaccumulation: aquatic / sediment

BCFBAF model (v3.01) of Estimation Programs Interface (EPI Suite, 2018) was used to predict the bioconcentration factor (BCF) of test chemical 4 -[(E)-2 -(5 -{[(2Z,4E)-6 -chloro-4 -[(3 -sulfophenyl)imino]-1,2,3,4 -tetrahydro-1,3,5-triazin-2-ylidene]amino}-2-sulfophenyl)diazen-1-yl]-5-oxo-1-(4-sulfophenyl)-4,5-dihydro -1H-pyrazole-3-carboxylic acid (CAS No. 93858 -25 -4).

The bioconcentration factor (BCF) of 4 -[(E)-2 -(5 -{[(2Z,4E)-6 -chloro-4 -[(3 -sulfophenyl)imino]-1,2,3,4 -tetrahydro-1,3,5 -triazin-2 -ylidene]amino}-2 -sulfophenyl)diazen-1 -yl]-5 -oxo-1 -(4 -sulfophenyl)-4,5 -dihydro -1H-pyrazole-3-carboxylic acid was estimated to be 3.162 L/kg whole body w.w (at 25 deg C) which does not exceed the bio concentration threshold of 2000, indicating that the chemical 4 -[(E)-2 -(5 -{[(2Z,4E)-6 -chloro-4 -[(3 -sulfophenyl)imino]-1,2,3,4 -tetrahydro-1,3,5 -triazin-2 -ylidene]amino}-2 -sulfophenyl)diazen-1 -yl]-5 -oxo-1 -(4 -sulfophenyl)- 4,5 -dihydro-1H-pyrazole-3 -carboxylic acid is not expected to bioaccumulate in the food chain.

Additional information

Bioaccumulation: aquatic / sediment

Various predicted data for the target compound 4-[(E)-2-(5-{[(2Z,4E)-6-chloro-4-[(3-sulfophenyl)imino]-1,2,3,4-tetrahydro-1,3,5-triazin-2-ylidene]amino}-2-sulfophenyl)diazen-1-yl]-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid (CAS No. 93858-25-4) and supporting weight of evidence study for its functionally similar read across substance were reviewed for the bioaccumulation end point which are summarized as below:

 

In aprediction done using theBCFBAF Program(v3.01) of Estimation Programs Interface (EPI Suite, 2018) was used to predict the bioconcentration factor (BCF) of test chemical 4 -[(E)-2 -(5 -{[(2Z,4E)-6 -chloro-4 -[(3 -sulfophenyl)imino]-1,2,3,4 -tetrahydro-1,3,5-triazin-2-ylidene]amino}-2-sulfophenyl)diazen-1-yl]-5-oxo-1-(4-sulfophenyl)-4,5-dihydro -1H-pyrazole-3-carboxylic acid (CAS No. 93858 -25 -4). The bioconcentration factor (BCF) of 4 -[(E)-2 -(5 -{[(2Z,4E)-6 -chloro-4 -[(3 -sulfophenyl)imino]-1,2,3,4 -tetrahydro-1,3,5 -triazin-2 -ylidene]amino}-2 -sulfophenyl)diazen-1 -yl]-5 -oxo-1 -(4 -sulfophenyl)-4,5 -dihydro -1H-pyrazole-3-carboxylic acid was estimated to be 3.162 L/kg whole body w.w (at 25 deg C).

 

Bioconcentration Factor (BCF) of test chemical 4 -[(E)-2 -(5 -{[(2Z,4E)-6 -chloro-4 -[(3 -sulfophenyl)imino]-1,2,3,4 -tetrahydro-1,3,5 -triazin-2 -ylidene]amino}-2 -sulfophenyl)diazen-1 -yl]-5 -oxo-1 -(4 -sulfophenyl)- 4,5 -dihydro -1H-pyrazole-3 -carboxylic acid (CAS no. 93858 -25 -4) was estimated using Chemspider database(ChemSpider, 2017). The bioconcentration factor of test substance 4 -[(E)-2 -(5 -{[(2Z,4E)-6 -chloro-4 -[(3 -sulfophenyl)imino]-1,2,3,4 -tetrahydro-1,3,5 -triazin-2 -ylidene]amino}-2 -sulfophenyl)diazen-1 -yl]-5 -oxo-1 -(4 -sulfophenyl)- 4,5 -dihydro -1H-pyrazole-3-carboxylic acid was estimated to be 1.0 at pH both 5.5 and 7.4, respectively.

 

Another predicted data was estimated usingSciFinder database (American Chemical Society (ACS), 2017) was used for predicting the bioconcentration factor (BCF) of test chemical 4 -[(E)-2 -(5 -{[(2Z,4E)-6 -chloro-4 -[(3 -sulfophenyl)imino]-1,2,3,4 -tetrahydro-1,3,5 -triazin-2-ylidene]amino}-2-sulfophenyl)diazen-1-yl]-5-oxo-1-(4-sulfophenyl)- 4,5-dihydro -1H-pyrazole-3-carboxylic acid (CAS No. 93858 -25 -4). The bioconcentration factor (BCF) of 4 -[(E)-2 -(5 -{[(2Z,4E)-6 -chloro-4 -[(3 -sulfophenyl)imino]-1,2,3,4 -tetrahydro-1,3,5 -triazin-2 -ylidene]amino}-2 -sulfophenyl)diazen-1 -yl]-5 -oxo-1 -(4 -sulfophenyl)- 4,5 -dihydro -1H-pyrazole-3 -carboxylic acid was estimated to be 1 at pH range 1 -10, respectively (at 25 deg C).

 

In a supporting weight of evidence study from authoritative database (J-CHECK and HSDB, 2017 & EnviChem, 2014) for the read across chemical C. I. Acid Yellow 23 (Trisodium 5-hydroxy-1-(4-sulphophenyl)-4-(4-sulphophenylazo)pyrazole-3-carboxylate) (CAS no. 1934-21-0),bioaccumulation experiment was conducted on test organism Cyprinus carpio for 6 weeks for evaluating the bioconcentration factor (BCF value) of C. I. Acid Yellow 23.The study was performed according to other guideline "Bioaccumulation test of a chemical substance in fish or shellfish" provided in "the Notice on the Test Method Concerning New Chemical Substances", respectively. Cyprinus carpio was used as a test organism for the study. Test chemical nominal conc. used for the study were 0.6mg/land 0.06 mg/l, respectively. Range finding study involve the TLm (48 hr) ≥ 1000 mg/l on Rice fish (Oryzias latipes). Lipid content of the test organism was determined to be 2.8%. The bioconcentration factor (BCF value) of substance C. I. Acid Yellow 23 on Cyprinus carpio was determined to be ≤ 0.29 L/Kg at a conc. of 0.6 mg/l and ≤ 3.0 L/Kg at a conc. of 0.06 mg/l, respectively.

 

For the read across chemical 4,4'-(1E,1'E)-(3,3'-dichlorobiphenyl-4,4'-diyl)bis(diazene-2,1-diyl)bis(3-methyl-1-phenyl-1H-pyrazol-5(4H)-one) (CAS no. 3520-72-7), bioaccumulation study was conducted on test organism Cyprinus carpio for 6 weeks for evaluating the bioconcentration factor (BCF value) of 4,4'-(1E,1'E)-(3,3'-dichlorobiphenyl-4,4'-diyl)bis(diazene-2,1-diyl)bis(3-methyl-1-phenyl-1H-pyrazol-5(4H)-one) (J-CHECK, 2017 & EnviChem, 2014). The study was performed according to other guideline "Bioaccumulation test of a chemical substance in fish or shellfish" provided in "the Notice on the Test Method Concerning New Chemical Substances", respectively. Cyprinus carpio was used as a test organism for the study. Test chemical nominal conc. used for the study were 0.15mg/land 0.015 mg/l, respectively. Test chemical solution was prepared in HCO-20 or crystal sugar. Analytical method involve therecovery ratio: Test water : 1st concentration area: 91.0 %, 2nd concentration area : 99.9 %, Fish : 87.9 %, - Limit of detection : Fish : 0.04 ppm. Range finding study involve the TLm (48 hr) ≥ 100 mg/l (w/v) on Rice fish (Oryzias latipes).The bioconcentration factor (BCF value) of substance 4,4'-(1E,1'E)-(3,3'-dichlorobiphenyl-4,4'-diyl)bis(diazene-2,1-diyl)bis(3-methyl-1-phenyl-1H-pyrazol-5(4H)-one)on Cyprinus carpio was determined to be in the range of 0.75 – 5.6 L/Kg at a conc. of 0.15 mg/l and ≤ 2.8 L/Kg at a conc. of 0.015 mg/l, respectively.

 

On the basis of above results for target chemical 4-[(E)-2-(5-{[(2Z,4E)-6-chloro-4-[(3-sulfophenyl)imino]-1,2,3,4-tetrahydro-1,3,5-triazin-2-ylidene]amino}-2-sulfophenyl)diazen-1-yl]-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid (from EPI suite,ChemSpider and Scifinder,  2017) and for its read across substance from authoritative database (HSDB, EnviChem & J-CHECK), it can be concluded that the BCF value of test substance 4-[(E)-2-(5-{[(2Z,4E)-6-chloro-4-[(3-sulfophenyl)imino]-1,2,3,4-tetrahydro-1,3,5-triazin-2-ylidene]amino}-2-sulfophenyl)diazen-1-yl]-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid ranges from 1 – 3.162 which does not exceed the bioconcentration threshold of 2000, indicating that the chemical 4-[(E)-2-(5-{[(2Z,4E)-6-chloro-4-[(3-sulfophenyl)imino]-1,2,3,4-tetrahydro-1,3,5-triazin-2-ylidene]amino}-2-sulfophenyl)diazen-1-yl]-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid is not expected to bioaccumulate in the food chain.