Registration Dossier
Registration Dossier
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EC number: 201-839-7 | CAS number: 88-53-9
Skin sensitisation
Administrative data
- Endpoint:
- skin sensitisation: in vivo (LLNA)
- Type of information:
- migrated information: read-across based on grouping of substances (category approach)
- Adequacy of study:
- supporting study
- Study period:
- 2015
- Reliability:
- other: Prediction confidence is measured by the p-value = 0.0625
- Rationale for reliability incl. deficiencies:
- other: QSAR Toolbox: weak confidence
Data source
Reference
- Reference Type:
- other: QSAR
- Title:
- Unnamed
- Year:
- 2 015
- Report date:
- 2015
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 429 (Skin Sensitisation: Local Lymph Node Assay)
- GLP compliance:
- no
- Type of study:
- mouse local lymph node assay (LLNA)
Test material
- Reference substance name:
- 5-amino-2-chlorotoluene-4-sulphonic acid
- EC Number:
- 201-839-7
- EC Name:
- 5-amino-2-chlorotoluene-4-sulphonic acid
- Cas Number:
- 88-53-9
- Molecular formula:
- C7H8ClNO3S
- IUPAC Name:
- 2-amino-5-chloro-4-methylbenzene-1-sulfonic acid
- Details on test material:
- SMILES:Cc1cc(N)c(S(O)(=O)=O)cc1Cl
Constituent 1
In vivo test system
Test animals
- Species:
- mouse
Results and discussion
Any other information on results incl. tables
The
prediction was based on dataset comprised from the following
descriptors: "Skin Sensitisation"
Estimation method: Takes 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"
Referential
boundary: The
target chemical should be classified as Anilines (Acute toxicity) by
US-EPA New Chemical Categories
Domain
logical expression index: "b"
Similarity
boundary:Target:
Cc1cc(N)c(S(O)(=O)=O)cc1Cl
Threshold=50%,
Dice(Atom pairs;Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "c"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -3
Domain
logical expression index: "d"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 1.42
Applicant's summary and conclusion
- Interpretation of results:
- other: Negative
- Conclusions:
- Based on the analysis using OECD QSAR Toolbox, the target substance is considered to be negative for skin sensitisation.
- Executive summary:
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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