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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Key value for chemical safety assessment

Skin sensitisation

Link to relevant study records
Reference
Endpoint:
skin sensitisation: in vivo (non-LLNA)
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:
Draize test
Species:
human
Sex:
not specified
Route:
other: no data
Vehicle:
no data
Route:
other: no data
Vehicle:
no data
Positive control substance(s):
not specified
Group:
test chemical
Clinical observations:
non sensitizing to human skin
Remarks on result:
other: Group: test group. Clinical observations: non sensitizing to human skin.





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 ("c" and "d" ) )

Domain logical expression index: "a"

Similarity boundary:Target: c1(N)ccc(N(=O)=O)cc1
Threshold=50%,
Dice(Atom pairs)

Domain logical expression index: "b"

Similarity boundary:Target: c1(N)ccc(N(=O)=O)cc1
Threshold=80%,
Dice(Atom pairs)

Domain logical expression index: "c"

Parametric boundary:The target chemical should have a value of log Kow which is >= 0.639

Domain logical expression index: "d"

Parametric boundary:The target chemical should have a value of log Kow which is <= 2.02

Interpretation of results:
not sensitising
Remarks:
Migrated information Criteria used for interpretation of results: EU
Conclusions:
According to the quantitative structure activity relationship model prediction, 4-nitroaniline was predicted as not being sensitizing to
human skin.
Executive summary:

According to the quantitative structure activity relationship model prediction, 4-nitroaniline was predicted as not being sensitizing to

human skin.

Endpoint conclusion
Endpoint conclusion:
no adverse effect observed (not sensitising)
Additional information:
Migrated from Short description of key information:
According to the quantitative structure activity relationship model prediction, 4-nitroaniline was predicted as not being sensitizing to
human skin.

Justification for selection of skin sensitisation endpoint:
4-nitroaniline was predicted as not being sensitizing to human skin.

Justification for classification or non-classification

The skin sensitization test conducted on guinea pigs by the intradermal route of exposure in the Freund’s complete adjuvant (FCAT) test gave moderate to strong intradermal sensitizing results.