Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
skin sensitisation
Remarks:
other: in silico (rule-based tool)
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Protein binding is only one step in elicitation of skin sensitizing response.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2012
Report date:
2012

Materials and methods

Principles of method if other than guideline:
Comparison of the structure against structural alerts for protein binding (including tentative metabolites)
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
3,4-Dichloroaniline-6-sulfonic acid
EC Number:
700-413-2
Cas Number:
6331-96-0
Molecular formula:
C6 H5 Cl2 N O3 S
IUPAC Name:
3,4-Dichloroaniline-6-sulfonic acid

Results and discussion

Applicant's summary and conclusion

Interpretation of results:
other: no protein binding potential predicted
Conclusions:
The OASIS protein binding module contained in the OECD toolbox did not identy structural alerts for protein binding. The substance was processed with the skin metabolism simulator tool which predicted two metabolites. Also for these, no structural alerts for protein binding were identified.