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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Description of key information

The molecule falls into the applicability domain of the models. The expert based predictions cannot exclude the classification of the molecule for dermal and eye irritation.

Key value for chemical safety assessment

Skin irritation / corrosion

Link to relevant study records
Reference
Endpoint:
skin irritation / corrosion, other
Remarks:
ToxTree
Type of information:
other: expert system based on decision tree approach
Adequacy of study:
other information
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
Documentation about the justification is provided in attachment (See Supporting information). The reliability assessment of the prediction is presented in the attached document as well (QPRF).
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.
Specific details on test material used for the study:
O=C(N1C2=CC=CC=C2CCC3=C1C=C([N+]([O-])=O)C=C3)C
Irritation / corrosion parameter:
other: ToxTree
Remarks on result:
other: non corrosive
Conclusions:
The substance is predicted to be non corrosive to skin.

Eye irritation

Link to relevant study records
Reference
Endpoint:
eye irritation, other
Remarks:
Toxtree
Type of information:
other: expert system based on decision tree approach
Adequacy of study:
other information
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
Documentation about the justification is provided in attachment (See Supporting information). The reliability assessment of the prediction is presented in the attached document as well (QPRF).
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.
Specific details on test material used for the study:
O=C(N1C2=CC=CC=C2CCC3=C1C=C([N+]([O-])=O)C=C3)C
Irritation parameter:
other: ToxTree
Remarks on result:
other: non skin corrosive
Interpretation of results:
study cannot be used for classification
Conclusions:
The substance is predicted to be non corrosive to skin. However, the eye irritation potential of the substance could not be predicted by the expert system utilized.

Additional information

Justification for classification or non-classification

The predictions cannot exclude the classification of the molecule for dermal and eye irritation. Overall, data available are deemed to be inconclusive for the classification in accordance with CLP regulation.