Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 679-039-6 | CAS number: 154607-01-9
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Genetic toxicity: in vivo
Administrative data
- Endpoint:
- in vivo mammalian germ cell study: cytogenicity / chromosome aberration
- Remarks:
- Type of genotoxicity: chromosome aberration
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Report date:
- 2015
Materials and methods
- Principles of method if other than guideline:
- Chromosome aberrations in vivo on rodent predictions were generated employing the predictor Leadscope Model Applier.
- GLP compliance:
- no
- Type of assay:
- chromosome aberration assay
Test material
- Reference substance name:
- 4-bromo-2-chlorobenzonitrile
- EC Number:
- 679-039-6
- Cas Number:
- 154607-01-9
- Molecular formula:
- C7H3BrClN
- IUPAC Name:
- 4-bromo-2-chlorobenzonitrile
Constituent 1
Test animals
- Species:
- other: rodent
Results and discussion
Any other information on results incl. tables
Leadscope model for chromosome aberrationin vivoother rodent estimates probability that a compound will result positive in a chromosome aberrationin vivoother rodent assay.Leadscope results include a genotoxicity prediction (positive, negative or not in domain), a positive prediction probability and two parameters which assess the reliability of the prediction: 1) Model Features Count, i.e., containing structural model features that are present in the prediction model; 2) 30% Similarity Training Neighbours Count, i.e. number of training compounds with at least 30 % similarity.
Leadscope FDA Model Applier prediction forchromosome aberrationin vivoother rodentresulted to be NEGATIVE, since the positive prediction probability was equal to 0.14. Since 5 features were found, it was concluded that 4-bromo-2-chlorobenzonitrile is well represented by the model.Additionally, all the identified features are represented in negative training compounds.The robustness of the prediction was further evaluated by examining compounds similar to the target from the training set.While this information does not take part to the prediction, it provides the complementary means to see how similar compounds are predicted and what the experimental values of similar compounds are. Only one structure (Tetrachlorobenzene,1,2,4,5-) was identified in the training set as analogue to 4-bromo-2-chlorobenzonitrile, although the identified analogue is characterized by low similarity with respect to the target (similarity = 0.30).Based on that, Leadscopeprediction was assessed as borderline reliable.
Applicant's summary and conclusion
- Conclusions:
- Interpretation of results (migrated information): negative
The consensus assessment was based on Leadscope Model Applier, concluding that the target substance is NEGATIVE, although the prediction is of borderline reliability.
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.