Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.
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EC number: 220-860-2 | CAS number: 2920-38-9
Skin sensitisation
Administrative data
- Endpoint:
- skin sensitisation
- Remarks:
- other: SAR analysis
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 3 (not reliable)
- Rationale for reliability incl. deficiencies:
- other: QSAR System for prediction of protein binding, which is only one aspect in skin sensitization.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 011
Materials and methods
Test guideline
- Qualifier:
- no guideline available
- Guideline:
- other: not applicable
- Principles of method if other than guideline:
- A SAR/(Q)SAR prediction of the test substance for skin sensitisation was performed using the OECD Toolbox 2.2 affilliating an existing (Q)SAR model for skin sensitisation of the Danish EPA DB.
- GLP compliance:
- no
- Type of study:
- other: Not applicable
Test material
- Reference substance name:
- p-phenylbenzonitrile
- EC Number:
- 220-860-2
- EC Name:
- p-phenylbenzonitrile
- Cas Number:
- 2920-38-9
- Molecular formula:
- C13H9N
- IUPAC Name:
- biphenyl-4-carbonitrile
- Details on test material:
- SMILES:C(#N)c1ccc(-c2ccccc2)cc1
Constituent 1
Results and discussion
Any other information on results incl. tables
Estimation method:
SAR/(Q)SAR prediction
No explicit domain available. Predictions and domain results are
pre-calculated and stored in database.
In domain
Applicant's summary and conclusion
- Interpretation of results:
- other: Negative
- Conclusions:
- No alert for protein binding was identified via the protein binding modules of the OECD QSAR toolbox.
- 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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
