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EC number: 241-680-0 | CAS number: 17691-19-9
Endpoint summary
Administrative data
Description of key information
Adsorption:
The Soil Adsorption Coefficient i.e. Koc value of test chemical Sodium 4-chloro-3-nitrobenzenesulphonate (CAS No. 17691-19-9) was estimated using EPI suite KOCWIN Program (v2.00) as 25.45 L/kg (log Koc= 1.4057) by means of MCI method at 25 deg. C. This log Koc value indicates that test chemical Sodium 4-chloro-3-nitrobenzenesulphonate has negligible sorption to soil and therefore test chemical has rapid migration potential to ground water.
Additional information
Adsorption:
Various predicted data for the target compound4-chloro-3-nitrobenzenesulphonate ( CAS no. 17691 -19 -9)and supporting weight of evidence study were reviewed for the adsorption end point which are summarized as below:
The Soil Adsorption Coefficient i.e. Koc value of test chemical Sodium 4-chloro-3-nitrobenzenesulphonate (CAS No. 17691-19-9) was estimated using EPI suite KOCWIN Program (v2.00) as 25.45 L/kg (log Koc= 1.4057) by means of MCI method at 25 deg. C. This log Koc value indicates that test chemical Sodium 4-chloro-3-nitrobenzenesulphonate has negligible sorption to soil and therefore test chemical has rapid migration potential to ground water.
The above prediction was further supported by another estimation , 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 fingerprintsof chemical) the adsorption coefficient i.e KOC for test substance Sodium 4-chloro-3-nitrobenzenesulphonate (CAS no. 17691 -19 -9) was estimated to be 28.0 L/kg (log Koc = 1.4771) .The predicted KOC result based on the 5 OECD principles. Thus based on the result it is concluded that the test substance Sodium 4-chloro-3-nitrobenzenesulphonate has a Negligible sorption to soil and sediment, rapid migration to ground water.
The above predictions were further supported by experimental data summarized inHazardous substance database for 4-Chloro-3- nitrobenzene sulfonamide , U.S National Library of Medicine 2017 for the structurally similar read across substance4-Chloro-3-nitrobenzenesulfonamide (97 -09 -6)
The Koc of 4-chloro-3-nitrobenzenesulfonamide is estimated as approximately 54 , the log Koc was calculated to be 1.732 . Hence, based on the log Koc value the test chemical is considered to haveLow sorption to soil and sediment, moderate migration to ground water
On the basis of above overall results for target chemicalSodium 4-chloro-3-nitrobenzenesulphonate (CAS No. 17691-19-9) (from EPI suiteand CompTox Chemistry Dashboard,2017) , it can be concluded that the log Koc value of test substanceSodium 4-chloro-3-nitrobenzenesulphonatewas predicted to be 1.4 -1.7 indicating that the test chemicalSodium 4-chloro-3-nitrobenzenesulphonatehas Negligible to low sorption to soil and sediment, rapid to moderate migration to ground water.
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