2-nitro-p-toluidine

Endpoint summary

Key value for chemical safety assessment

Skin sensitisation

Link to relevant study records

Reference

Endpoint:

skin sensitisation

Remarks:

in vivo

Type of information:

(Q)SAR

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Qualifier:

according to guideline

Guideline:

other: estimated data

Principles of method if other than guideline:

Prediction is done using QSAR Toolbox version 2.3.

GLP compliance:

no

Type of study:

other: QSAR prediction

Strain:

not specified

Sex:

not specified

Vehicle:

no data

Vehicle:

no data

Group:

test chemical

Clinical observations:

Strongly positive

Remarks on result:

other: Group: test group. Clinical observations: Strongly positive.

The prediction was based on dataset comprised from the following descriptors: "Skin sensitisation"
Estimation method: Taking highest mode value from the 5 nearest neighbours
Domain logical expression:Result: In Domain

((((("a" and ("b" and ( not "c") ) ) and ("d" and ( not "e") ) ) and ("f" and ( not "g") ) ) and ("h" and ( not "i") ) ) and ("j" and "k" ) )

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Anilines (Unhindered) by Aquatic toxicity classification by ECOSAR

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as Aromatic amines by Skin irritation/corrosion Inclusion rules by BfR

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Phenols OR Sulfonic acids or their salts by Skin irritation/corrosion Inclusion rules by BfR

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as No alert found by Protein binding by OASIS

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as MA: Quinone type compounds OR Mechanistic Domain: Michael addition OR Quinone (di)imines by Protein binding by OASIS

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as Non-Metals by Groups of elements

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as Alkali Earth OR Halogens by Groups of elements

Domain logical expression index: "h"

Referential boundary: The target chemical should be classified as Anilines (Unhindered) by Aquatic toxicity classification by ECOSAR

Domain logical expression index: "i"

Referential boundary: The target chemical should be classified as Acid moiety OR Amides OR Anilines (amino-meta) OR Anilines (amino-para) OR Anilines (Hindered) OR Esters by Aquatic toxicity classification by ECOSAR

Domain logical expression index: "j"

Parametric boundary:The target chemical should have a value of log Kow which is >= 2.18

Domain logical expression index: "k"

Parametric boundary:The target chemical should have a value of log Kow which is <= 3.2

Interpretation of results:

sensitising

Remarks:

Migrated information Criteria used for interpretation of results: EU

Conclusions:

According to the quantitative structure activity relationship model prediction, 2-nitro-p-toluidine was predicted to have strongly sensitizing effect

Executive summary:

According to the quantitative structure activity relationship model prediction, 2-nitro-p-toluidine was predicted to have strongly sensitizing effect

Endpoint conclusion

Endpoint conclusion:

adverse effect observed (sensitising)

Additional information:

Migrated from Short description of key information:
The prediction effect gave positive skin sensitization results.

Justification for selection of skin sensitisation endpoint:
Model considered reliable by OECD.

Justification for classification or non-classification

The prediction using the QSAR model (considered relaible by OECD) gave positive sensitization results