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EC number: 202-762-1 | CAS number: 99-52-5
- 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
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- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
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- Additional toxicological data

Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
- Endpoint:
- bioaccumulation in aquatic species: fish
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- Estimated data generated using the EPI Suite model developed by the USEPA and PBT profiler
- Qualifier:
- according to guideline
- Guideline:
- other: Modelling database
- Principles of method if other than guideline:
- Prediction done using BCFBAF Program (v3.00) model and PBT profiler
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - IUPAC name 2-methyl-4-nitroaniline
- Name of test material: 4-nitro-o-toluidine
- Molecular formula: C7H8N2O2
- Molecular weight: 152.152 g/mol
- Physical state: Solid
- SMILES: c1(cc(c(N)cc1)C)[N+](=O)[O-]
- InChI: 1S/C7H8N2O2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,8H2,1H3 - Radiolabelling:
- not specified
- Vehicle:
- not specified
- Test organisms (species):
- other: Fish
- Route of exposure:
- aqueous
- Test type:
- not specified
- Water / sediment media type:
- natural water: freshwater
- Test temperature:
- 25 deg.C
- Reference substance (positive control):
- not specified
- Temp.:
- 25 °C
- Type:
- BCF
- Value:
- 10 L/kg
- Basis:
- whole body w.w.
- Calculation basis:
- other: estimated
- Remarks on result:
- other: Non bioaccumulative
- Validity criteria fulfilled:
- not specified
- Conclusions:
- From BCFBAF (v3.00) model of EPI suite and PBT profiler the estimated bio concentration factor (BCF) for 2-methyl-4-nitroaniline is 10 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that 2-methyl-4-nitroaniline is not expected to bio accumulate in the aquatic environment.
- Executive summary:
From BCFBAF (v3.00) model of EPI suite and PBT profiler the estimated bio concentration factor (BCF) for 2-methyl-4-nitroaniline is 10 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that 2-methyl-4-nitroaniline is not expected to bio accumulate in the aquatic environment.
Reference
EPI SUITE prediction:
BCFBAF Program (v3.01) Results:
==============================
SMILES : N(=O)(=O)c(ccc(N)c1C)c1
CHEM : Benzenamine, 2-methyl-4-nitro-
MOL FOR: C7 H8 N2 O2
MOL WT : 152.15
--------------------------------- BCFBAF v3.01 --------------------------------
Summary Results:
Log BCF (regression-based estimate): 1.00 (BCF = 9.98 L/kg wet-wt)
Biotransformation Half-Life (days) : 0.0699 (normalized to 10 g fish)
Log BAF (Arnot-Gobas upper trophic): 0.87 (BAF = 7.35 L/kg wet-wt)
Log Kow (experimental): not available from database
Log Kow used by BCF estimates: 2.02
Equation Used to Make BCF estimate:
Log BCF = 0.6598 log Kow - 0.333 + Correction
Correction(s): Value
No Applicable Correction Factors
Estimated Log BCF = 0.999 (BCF = 9.976 L/kg wet-wt)
Description of key information
From BCFBAF (v3.00) model of EPI suite and PBT profiler the estimated bio concentration factor (BCF) for 2-methyl-4-nitroaniline is 10 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that 2-methyl-4-nitroaniline is not expected to bio accumulate in the aquatic environment.
Key value for chemical safety assessment
- BCF (aquatic species):
- 10 L/kg ww
Additional information
Three predicted data from validated models for bioaccumulation (BCF) endpoint of target chemical 2-methyl-4-nitroaniline (Cas no. 99-52-5) were summarized as follows:
First prediction using BCFBAF (v3.00) model and PBT profiler which indicate the estimated bio concentration factor (BCF) for 2-methyl-4-nitroaniline is 10 L/kg wet-wt which does not exceed the bioconcentration threshold of 2000.Thus it is concluded that 2-methyl-4-nitroaniline is not expected to bio accumulate in the aquatic environment.
Above prediction is supported by data from Scifinder database which suggest the Bioconcentration factor (BCF) for target chemical 2-methyl-4-nitroaniline was predicted to be 3.44 at pH range 1, 5.81 at pH 2, 6.24 at pH 3 and 6.30 at pH range 4-10 and temperature 25 deg.C. using the Scifinder database.Based on the BCF concentration at all range of pH it is concluded that the test chemical 2-methyl-4-nitroaniline is non bioaccumulative in nature as it does not exceed the BCF criteria of 2000.
Further, Chemspider - ACD/PhysChem Suite prediction model indicate the Bioconcentration factor (BCF) for target chemical 2-methyl-4-nitroaniline was estimated to be 8.55 at pH 5.5 and 7.4 at temperature 25 deg.C. Based on the BCF concentration at two different pH concluded that the test chemical 2-methyl-4-nitroaniline is non bioaccumulative in nature as it does not exceed the BCF criteria of 2000.
Thus based on all available predicted reports for bioaccumulation endpoint concluded that the test substance 2-methyl-4-nitroaniline (Cas no. 99-52-5) is expected to be non Bioaccumulative in aquatic environment.
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