Registration Dossier
Registration Dossier
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EC number: 267-234-5 | CAS number: 67827-72-9
Endpoint summary
Administrative data
Description of key information
Adsorption/desorption:
From CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application) V1.02 model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical) the adsorption coefficient i.e KOC for test substance 2-methoxy-5-nitroanilinium chloride (CAS no. 67827 -72 -9) was estimated to be 110 L/kg (log Koc = 2.0413) .The predicted KOC result based on the 5 OECD principles. Thus based on the result it is concluded that the test substance 2-methoxy-5-nitroanilinium chloride has a low sorption to soil and sediment and therefore has moderate migration potential to ground water.
Additional information
Adsorption/desorption:
Predicted data study for target chemical 2-methoxy-5-nitroanilinium chloride (CAS no. 67827-72-9) and experimental studies for its structurally similar read across chemicals have been conducted for adsorption endpoint and their results are summarized below.
The first weight of evidence study was done from CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application) V1.02 model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical) the adsorption coefficient i.e KOC for test substance 2-methoxy-5-nitroanilinium chloride (CAS no. 67827-72-9) was estimated to be 110 L/kg (log Koc = 2.0413) .The predicted KOC result based on the 5 OECD principles. Thus based on the result it is concluded that the test substance 2-methoxy-5-nitroanilinium chloride has a low sorption to soil and sediment and therefore has moderate migration potential to ground water.
Another weight of evidence study was done from authoritative database (HSDB, 2017) for structurally similar read across chemical in this study the Koc value for read across chemical 2-Methoxy-5-nitroaniline (CAS no.99-59-6) was estimated by using a log Kow and a regression-derived equation. The estimated Koc value was 150 dimensionless and log Koc is 2.1760 this log Koc value suggests that 2-Methoxy-5-nitroaniline is expected to have low sorption to soil and sediment and therefore has moderate migration potential to ground water.
Last weight of evidence study was also done from same authoritative database (HSDB, 2017) in this study the Koc value for read across chemical 4-Amino-2-nitrophenol (CAS no.119-34-6) was estimated by using a log Kow and a regression-derived equation. The estimated Koc value was 150 dimensionless and log Koc is 1.8976 this log Koc value suggests that read across chemical 4-Amino-2-nitrophenol is expected to have low sorption to soil and sediment and therefore has moderate migration potential to ground water.
On the basis of all the studies mentioned above it can be concluded that test chemical 2-methoxy-5-nitroanilinium chloride has a low sorption to soil and sediment and therefore has moderate migration potential to ground water.
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