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EC number: 279-251-5 | CAS number: 79752-03-7
- 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
Endpoint summary
Administrative data
Key value for chemical safety assessment
Genetic toxicity in vitro
Description of key information
The substance was reliably predicted to be mutagenic by QSAR models, but on the basis of the results of the Bacterial Reverse Mutation Assay carried out according to OECD 471, the substance resulted to be NOT MUTAGENIC.
Link to relevant study records
- Endpoint:
- in vitro gene mutation study in bacteria
- Type of information:
- (Q)SAR
- Adequacy of study:
- other information
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- Documentation about the justification is provided in attachment (See supporting information). The reliability assessment of the prediction is presented in the attached document as well (QPRF). QSAR model reporting format is presented in the QMRF file attached.
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other: ECHA guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals.
- Principles of method if other than guideline:
- - Ferrari T., Gini G. An open source multistep model to predict mutagenicity from statistical analysis and relevant structural alerts. Chemistry Central Journal (2010), 4
(Suppl 1):S2
- Benigni R., Bossa C., Jeliazkova N.G., Netzeva T.I., Worth A.P. The Benigni/Bossa rulebase for mutagenicity and carcinogenicity - a module of toxtree. Technical Report EUR 23241 EN, European Commission - Joint Research Centre 2008. - Type of assay:
- bacterial reverse mutation assay
- Specific details on test material used for the study:
- O=C(N1C2=CC=CC=C2CCC3=C1C=C([N+]([O-])=O)C=C3)C
- Remarks on result:
- mutagenic potential (based on QSAR/QSPR prediction)
- Conclusions:
- The molecule was predicted to be mutagenic.
- Endpoint:
- in vitro gene mutation study in bacteria
- Type of information:
- (Q)SAR
- Adequacy of study:
- other information
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- Documentation about the justification is provided in attachment (See supporting information). The reliability assessment of the prediction is presented in the attached document as well (QPRF).
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other: ECHA guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals.
- Principles of method if other than guideline:
- - Benigni, R., Bossa, C. “Mechanisms of chemical carcinogenicity and mutagenicity: a review with implications for predictive toxicology”, Chem. Revs. 111 (2011), 2507-2536; -
- Benigni, R., Bossa C., Tcheremenskaia O. “In vitro cell transformation assays for an integrated, alternative assessment of carcinogenicity: a databased analysis”, Mutagenesis (2013), 28(1):107-16. - Type of assay:
- bacterial reverse mutation assay
- Specific details on test material used for the study:
- O=C(N1C2=CC=CC=C2CCC3=C1C=C([N+]([O-])=O)C=C3)C
- Remarks on result:
- mutagenic potential (based on QSAR/QSPR prediction)
- Conclusions:
- The molecule was predicted to be mutagenic.
- Endpoint:
- in vitro gene mutation study in bacteria
- Type of information:
- (Q)SAR
- Adequacy of study:
- other information
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- Documentation about the justification is provided in attachment (See supporting information). The reliability assessment of the prediction is presented in the attached document as well (QPRF).
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other: ECHA guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals.
- Principles of method if other than guideline:
- T. Ferrari, D. Cattaneo, G. Gini, N. Golbamaki Bakhtyari, A. Manganaro, E. Benfenati, “Automatic knowledge extraction from chemical structures: the case of mutagenicity prediction”, SAR and QSAR in Environmental Research (2013), vol. 24 issue 5, 365-83.
- Type of assay:
- bacterial reverse mutation assay
- Specific details on test material used for the study:
- O=C(N1C2=CC=CC=C2CCC3=C1C=C([N+]([O-])=O)C=C3)C
- Remarks on result:
- mutagenic potential (based on QSAR/QSPR prediction)
- Conclusions:
- The molecule was predicted to be mutagenic.
- Endpoint:
- in vitro gene mutation study in bacteria
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 471 (Bacterial Reverse Mutation Assay)
- Version / remarks:
- 1997
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of assay:
- bacterial reverse mutation assay
- Specific details on test material used for the study:
- 3-Nitro-5-Acetyl Iminodibenzyl
- Species / strain / cell type:
- S. typhimurium TA 1535, TA 1537, TA 98, TA 100 and TA 102
- Metabolic activation:
- with and without
- Metabolic activation system:
- The enzymatic for metabolism activation (S9 mix) was prepared according to Manufacturer procedure: Regensys A has been completed by the addition of Regensys B, then 5 ml of S9 have been added to obtain a S9 mix solution at 10%.
- Untreated negative controls:
- no
- Negative solvent / vehicle controls:
- no
- True negative controls:
- no
- Positive controls:
- yes
- Positive control substance:
- 9-aminoacridine
- sodium azide
- cyclophosphamide
- mitomycin C
- other: Daunomycin, 2 Aminoantracene
- Details on test system and experimental conditions:
- The whole essay was performed in triplicate.
- Key result
- Species / strain:
- S. typhimurium TA 1535
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- no cytotoxicity
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- valid
- True negative controls validity:
- valid
- Positive controls validity:
- valid
- Key result
- Species / strain:
- S. typhimurium TA 1537
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- no cytotoxicity
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- valid
- True negative controls validity:
- valid
- Positive controls validity:
- valid
- Key result
- Species / strain:
- S. typhimurium TA 98
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- no cytotoxicity
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- valid
- True negative controls validity:
- valid
- Positive controls validity:
- valid
- Key result
- Species / strain:
- S. typhimurium TA 100
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- no cytotoxicity
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- valid
- True negative controls validity:
- valid
- Positive controls validity:
- valid
- Key result
- Species / strain:
- S. typhimurium TA 102
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- no cytotoxicity
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- valid
- True negative controls validity:
- valid
- Positive controls validity:
- valid
- Conclusions:
- On the basis of the results interpreted according to OECD 471:1997, the substance 3-Nitro-5-Acetyl Iminodibenzyl tested as recommended by standards, proved to be NOT MUTAGENIC for all the test strains, either in the presence or absence of metabolic activation.
- Executive summary:
The bacterial reverse mutation assay was performed on five mutant strains of Salmonella typhimurium (TA 1535, TA 1537, TA 98, TA 100, TA 102).
The presumed mutagenic activity of the test substance was determined by comparing number of reverting colonies in treated cultures with the number of the reverting organisms in the control cultures.
The direct incorporation method in a plate was used both in the presence of, and without, an enzymatic system for metabolic activation.
The test substance was prepared as solution in water with a concentration equivalent to 50 mg/ml and 4 different concentrations of semi-log intervals between them were prepared.
On the basis of the results interpreted according to OECD 471: 1997, the test substance 3-Nitro-5-Acetyl Iminodibenzyl tested as recommended by standards, proved to be NOT MUTAGENIC for all the test strains, either in the presence or absence of metabolic activation.
Referenceopen allclose all
The prediction was deemed to be reliable on the basis of the parameters listed above. The molecule falls into the applicability domain of the model.
The prediction was deemed to be reliable on the basis of the parameters listed above. The molecule partially falls into the applicability domain of the model.
The prediction was deemed to be reliable on the basis of the parameters listed above. The molecule falls into the applicability domain of the model.
Additional information
Justification for classification or non-classification
On the basis of the results of the Bacterial Reverse Mutation Assay, the substance resulted to be NOT MUTAGENIC. However, the available data are not sufficient to conclude on the classification for this hazard class according to CLP.
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