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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
The prediction is done by using QSAR Toolbox Version 3.1
GLP compliance:
no
Type of study:
guinea pig maximisation test
Species:
guinea pig
Strain:
not specified
Sex:
not specified
Route:
other: unspecified
Vehicle:
no data
Route:
other: no data
Vehicle:
no data
Reading:
1st reading
Group:
test chemical
Clinical observations:
Weak-sensitizer
Remarks on result:
other: Reading: 1st reading. Group: test group. Clinical observations: Weak-sensitizer.





The prediction was based on dataset comprised from the following descriptors: "S M W N"
Estimation method: Takes highest mode value from the 5 nearest neighbours
Domain  logical expression:Result: In Domain

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

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Anilines (Acute toxicity) by US-EPA New Chemical Categories

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as High (Class III) by Toxic hazard classification by Cramer (original)

Domain logical expression index: "c"

Similarity boundary:Target: c1(N)cc(N{+}(.Cl{-})=C(N)O)ccc1
Threshold=20%,
Dice(Atom centered fragments)

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Group 14 - Carbon C AND Group 15 - Nitrogen N AND Group 16 - Oxygen O AND Group 17 - Halogens Cl AND Group 17 - Halogens F,Cl,Br,I,At by Chemical elements

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as Group 16 - Sulfur S by Chemical elements

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as Primary aromatic amine, hydroxyl amine and its derived esters by in vivo mutagenicity (Micronucleus) alerts by ISS

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as Aromatic diazo OR Aromatic mono- and dialkylamine OR H-acceptor-path3-H-acceptor OR Nitro-aromatic OR Quinones by in vivo mutagenicity (Micronucleus) alerts by ISS

Domain logical expression index: "h"

Referential boundary: The target chemical should be classified as Very fast by Bioaccumulation - metabolism half-lives

Domain logical expression index: "i"

Parametric boundary:The target chemical should have a value of logP Multicase which is >= 0.0386

Domain logical expression index: "j"

Parametric boundary:The target chemical should have a value of logP Multicase which is <= 1.45

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, (3-aminophenyl)uronium chloride was predicted as a weak- sensitizer to guinea pig skin by Guinea pig maximisation test. Howevwer, the sensitization potential was not considered strong enough for classifying the chemical as a skin sensitizer.
Executive summary:

According to the quantitative structure activity relationship model prediction, (3-aminophenyl)uronium chloride was predicted as a weak- sensitizer to guinea pig skin by Guinea pig maximisation test. Howevwer, the sensitization potential was not considered strong enough for classifying the chemical as a skin sensitizer.

Endpoint conclusion
Endpoint conclusion:
no adverse effect observed (not sensitising)
Additional information:

According to the quantitative structure activity relationship model prediction, (3-aminophenyl)uronium chloride was predicted as a weak- sensitizer to guinea pig skin by Guinea pig maximisation test. Howevwer, the sensitization potential was not considered strong enough for classifying the chemical as a skin sensitizer.


Migrated from Short description of key information:
According to the quantitative structure activity relationship model prediction, (3-aminophenyl)uronium chloride was predicted as a weak- sensitizer to guinea pig skin by Guinea pig maximisation test. Howevwer, the sensitization potential was not considered strong enough for classifying the chemical as a skin sensitizer.

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

Justification for classification or non-classification

According to the quantitative structure activity relationship model prediction, (3-aminophenyl)uronium chloride was predicted as a weak- sensitizer to guinea pig skin by Guinea pig maximisation test. Howevwer, the sensitization potential was not considered strong enough for classifying the chemical as a skin sensitizer.