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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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 irritation / corrosion, other
Remarks:
in silico
Type of information:
(Q)SAR
Adequacy of study:
other information
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
Justification for type of information:
Documentation about the justification is provided in attachment.

Data source

Referenceopen allclose all

Reference Type:
publication
Title:
Use of Physicochemical Property Limits to Develop Rules for Identifying Chemical Substances with no Skin Irritation or Corrosion Potential
Author:
Ingrid Gerner, Kerstin Schlegel, John D. Walker, and Etje Hulzebosc
Year:
2004
Bibliographic source:
QSAR Comb. Sci. 2004, 23, pp.726-733
Reference Type:
publication
Title:
The Skin Irritation Corrosion Rules Estimation Tool (SICRET)
Author:
John D. Walker, Ingrid Gerner, Etje Hulzebos, Kerstin Schlegel
Year:
2005
Bibliographic source:
QSAR Comb. Sci. 2005, 24, pp.378-384
Reference Type:
publication
Title:
Use of structural alerts to develop rules for identifying chemical substances with skin irritation or skin corrosion potential
Author:
Etje Hulzebos, John D. Walker, Ingrid Gerner, and Kerstin Schlegel
Year:
2005
Bibliographic source:
QSAR Comb. Sci. 2005, 24, pp.332-342

Materials and methods

Test guideline
Qualifier:
equivalent or similar to guideline
Guideline:
other: ECHA guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals.

Test material

Constituent 1
Chemical structure
Reference substance name:
2-amino-5-chlorobenzenesulphonic acid
EC Number:
205-119-3
EC Name:
2-amino-5-chlorobenzenesulphonic acid
Cas Number:
133-74-4
Molecular formula:
C6H6ClNO3S
IUPAC Name:
2-amino-5-chlorobenzenesulphonic acid
Test material form:
solid: particulate/powder
Specific details on test material used for the study:
The SMILES included in the reference substance linked in Section 1 (General information) was used as model input.

Test animals

Species:
other: QSAR

Results and discussion

In vivo

Results
Irritation parameter:
other: QSAR prediction
Remarks on result:
no indication of irritation
Irritant / corrosive response data:
The substance is predicted not to be corrosive or irritant to the skin.

Applicant's summary and conclusion

Interpretation of results:
GHS criteria not met
Conclusions:
The substance should not be classified as irritant to the skin.