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Adsorption/desorption:

The Soil Adsorption Coefficient i.e. Koc value of test chemical 1,4-diamino-2,3-dichloroanthraquinone (CAS No. 81-42-5) was estimated using EPI suite KOCWIN Program (v2.00) as 3312 L/kg (log Koc= 3.5201) by means of MCI method at 25 deg. C. This log Koc value indicates that test chemical 1,4-diamino-2,3-dichloroanthraquinone has strong sorption to soil and therefore have negligible to slow migration potential to ground water.

Additional information

Adsorption/desorption:

Predicted data for target chemical 1,4-diamino-2,3-dichloroanthraquinone (CAS No. 81-42-5) and supporting weight of evidence studies for its read across chemicals were reviewed for adsorption endpoint and their results are summarized below.

 

In a prediction done by using EPI suite (Estimation Program Interface, 2017) KOCWIN Program (v2.00) the Soil Adsorption Coefficient i.e. Koc value of test chemical 1,4-diamino-2,3-dichloroanthraquinone (CAS No. 81-42-5) estimated was 3312 L/kg (log Koc= 3.5201) by means of MCI method at 25 deg. C.

 

Another prediction done by using Adsorption Coefficient module (v12.1.0.50374) program of Advanced Chemistry Development/I-lab predictive module the Soil Adsorption Coefficient i.e Koc value of test substance1,4-diamino-2,3-dichloroanthraquinone (CAS no.81-42-5) was estimated to be Koc 27255 dimensionless (log Koc= 4.4354).

 

Next prediction done by using Sci Finder database of American Chemical Society (ACS, 2017) the soil adsorption co-efficient i.e., Koc value of test chemical1,4-diamino-2,3-dichloroanthraquinone (CAS no. 81-42-5) was estimated to be 13300 dimensionless ( log Koc = 4.1238) at pH 1-10 at temperature 25 deg.C. This Koc value at entire range of pH condition indicates that the substance1,4-diamino-2,3-dichloroanthraquinone has strong sorption to soil and sediment.

 

Last prediction done by using Chemspider-ACD/Phy chem suite of Royal Society of Chemistry, 2017 the soil adsorption co-efficient i.e., Koc value of test substance 1,4-diamino-2,3-dichloroanthraquinone (CAS no. 81-42-5) was estimated to be 7629.95 dimensionless (log Koc= 3.8825) at pH 5.5 and 7.4 and temperature 25 deg.C This Koc value at different pH indicates that the chemical 1,4-diamino-2,3-dichloroanthraquinone has strong sorption to soil and sediments.

 

In a supporting weight of evidence study from Hazardous Substance Data Bank ( HSDB, 2017) the Koc value for read across chemical 1,4,5,8-tetraamino-9,10-dihydroanthracene-9,10-dione (CAS no.2475-45-8) was estimated by using a structure estimation method based on molecular connectivity indices. The estimated Koc value was 3200 dimensionless and log Koc is 3.5051 this log Koc value suggests that 1,4,5,8-tetraamino-9,10-dihydroanthracene-9,10-dione is expected to have strong sorption to soil and sediment.

 

In another supporting weight of evidence study from same source as mentioned above ( HSDB, 2017) the Koc value for read across chemical 1-amino-2,4-dibromo-9,10-anthraquinone (CAS no.81-49-2) was estimated by using a structure estimation method based on molecular connectivity indices. The estimated Koc value was 6600 dimensionless and log Koc is 3.8194 this log Koc value suggests that 1-amino-2,4-dibromo-9,10-anthraquinone is expected to have strong sorption to soil and sediment.

 

On the basis of above results for target chemical 1,4-diamino-2,3-dichloroanthraquinone (CAS no. 81-42-5) (from EPI suite, ACD lab, Sci Finder, and Chemspider 2017), and for its read across chemical ( From HSDB, 2017) it can be concluded that the Koc value of test substance 1,4-diamino-2,3-dichloroanthraquinone ranges from 3312 to 27255 dimensionless and log koc ranges from 3.5201 to 4.4354 indicating that the test chemical 1,4-diamino-2,3-dichloroanthraquinone has strong sorption to soil and sediment and therefore have negligible to slow migration potential to groundwater.