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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
- 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

Short-term toxicity to aquatic invertebrates
Administrative data
Link to relevant study record(s)
- Endpoint:
- short-term toxicity to aquatic invertebrates
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- 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 limited documentation / justification
- Justification for type of information:
- The supporting QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: as mentioned below
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.3 with log kow as the primary discriptors.
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): 2-methyl-4-nitroaniline
- Molecular formula: C7 H8 N2 O2
- Molecular weight: 152.152 g/mol
- Smiles notation: 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
- Substance type: Organic
- Physical state: Solid - Test organisms (species):
- Daphnia magna
- Test type:
- static
- Water media type:
- freshwater
- Total exposure duration:
- 48 h
- Hardness:
- No data available
- Test temperature:
- No data available
- pH:
- No data available
- Dissolved oxygen:
- No data available
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- 4.18 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- other: Intoxication
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The short term toxicity on aquatic invertebrates was predicted for 2-methyl-4-nitroaniline (99-52-5). EC50 value was estimated to be 4.18 mg/l for Daphnia magna for 48 hrs duration.
- Executive summary:
Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the six closest read across substances, the short term toxicity on aquatic invertebrates was predicted for 2-methyl-4-nitroaniline (99-52-5). EC50 value was estimated to be 4.18 mg/l for Daphnia magna for 48 hrs duration. Based on the value, the chemical was considered to be toxic to aquatic invertebrates and can be considered to be classified in chronic category 2 as per the CLP regulations.
Reference
The
prediction was based on dataset comprised from the following
descriptors: EC50
Estimation method: Takes average value from the 6 nearest neighbours
Domain logical expression:Result: In Domain
(((((("a"
or "b" or "c" or "d" or "e" )
and "f" )
and "g" )
and ("h"
and (
not "i")
)
)
and ("j"
and (
not "k")
)
)
and ("l"
and "m" )
)
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"
Referential
boundary: The
target chemical should be classified as Alkyl arenes AND Aniline AND
Aryl AND Nitrobenzene by Organic Functional groups
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Alkyl arenes AND Aniline AND
Nitrobenzene AND Overlapping groups by Organic Functional groups (nested)
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [CH] AND
Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Aliphatic
Nitrogen, one aromatic attach [-N] AND Aromatic Carbon [C] AND
Miscellaneous sulfide (=S) or oxide (=O) AND Nitro, aromatic attach
[-NO2] AND Olefinic carbon [=CH- or =C<] by Organic functional groups
(US EPA)
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Amine AND Aromatic compound AND
Nitro compound AND Primary amine AND Primary aromatic amine by Organic
functional groups, Norbert Haider (checkmol)
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Class 3 (unspecific reactivity)
by Acute aquatic toxicity classification by Verhaar (Modified) ONLY
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Phenols and Anilines by Acute
aquatic toxicity MOA by OASIS ONLY
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Alkyl substituent on aromatic
ring AND Aromatic amine [-NH2 or -NH-] AND Aromatic nitro [-NO2]
AND Aromatic-CH3 AND Aromatic-H AND Benzene by Bioaccumulation -
metabolism alerts
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Aromatic chloride [-CL] OR
-CH2- [linear] OR Ester [-C(=O)-O-C] OR Fluorine [-F] OR Methyl
[-CH3] OR Tertiary amine OR Trifluoromethyl group [-CF3] by
Bioaccumulation - metabolism alerts
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as No Data by Ultimate biodeg
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as > 100 days by Ultimate biodeg
Domain
logical expression index: "l"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 1.84
Domain
logical expression index: "m"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 2.57
Description of key information
Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the six closest read across substances, the short term toxicity on aquatic invertebrates was predicted for2-methyl-4-nitroaniline (99-52-5). EC50 value was estimated to be 4.18 mg/l for Daphnia magna for 48 hrs duration. Based on the value, the chemical was considered to be toxic to aquatic invertebrates and can be considered to be classified in chronic category 2 as per the CLP regulations.
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 4.18 mg/L
Additional information
Short term toxicity to aquatic invertebrates for 2-methyl-4-nitroaniline (99-52-5)was summarised with one predicted data and two experimental studies of two functionally related read across substances are as follows:
Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the six closest read across substances, the short term toxicity on aquatic invertebrates was predicted for2-methyl-4-nitroaniline (99-52-5). EC50 value was estimated to be 4.18 mg/l for Daphnia magna for 48 hrs duration. Based on the value, the chemical was considered to be toxic to aquatic invertebrates and can be considered to be classified in chronic category 2 as per the CLP regulations.
Study was performed in Daphnia magna from Ecotox database, 2016 for two read across substances 5-methyl-2-nitroaniline (578-46-1) and 2-methyl-3,6-dinitroaniline(56207-39-7).
The test was performed in static fresh water system with different test conditions. After 48 hrs, the EC 50 value for 5-methyl-2-nitroaniline (578-46-1) was determined to be 5.8 mg/l and the EC50 value for 2-methyl-3,6-dinitroaniline was determined to be 2.2 mg/l. Based on the value, the chemical was considered to be toxic to aquatic invertebrates and can be considered to be classified in aquatic chronic 2 category as per the CLP regulations.
Based on the above predicted data and studies of functionally related read across chemicals it can be considered that all the above studies supported the target classification, and thus 2-methyl-4-nitroaniline (99-52-5) was likely to be toxic to aquatic invertebrates and can be considered to be classified in aquatic chronic 2 as per the CLP regulations.
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