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Ecotoxicological information

Short-term toxicity to fish

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Reference
Endpoint:
short-term toxicity to 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:
Data is from computational model developed by USEPA
Reference:
Composition 1
Qualifier:
according to
Guideline:
other: Modelling database
Principles of method if other than guideline:
Prediction done using ECOSAR v.1.11 model
GLP compliance:
no
Test material information:
Composition 1
Specific details on test material used for the study:
- Name of test material (as cited in study report): 4-nitrobenzene-1,3-diamine
- Molecular formula (if other than submission substance): C6H7N3O2
- Molecular weight (if other than submission substance): 153.14 g/mol
- Smiles notation (if other than submission substance): c1(c(cc(N)cc1)N)[N+](=O)[O-]
- InChI: 1S/C6H7N3O2/c7-4-1-2-6(9(10)11)5(8)3-4/h1-3H,7-8H2
- Substance type: Organic
- Physical state: Solid
Analytical monitoring:
not specified
Vehicle:
not specified
Test organisms (species):
other: Fish
Test type:
static
Water media type:
freshwater
Total exposure duration:
96 h
Test temperature:
25 Deg.C
Reference substance (positive control):
not specified
Key result
Duration:
96 h
Dose descriptor:
LC50
Effect conc.:
2 515.31 mg/L
Nominal / measured:
estimated
Conc. based on:
test mat.
Basis for effect:
mortality
Remarks on result:
other: ECOSAR Class:Neutral Organics
Validity criteria fulfilled:
not specified
Conclusions:
Based on the EPI Suite ECOSAR version 1.10 prediction model, the 96 hours LC50 was estimated to be 2515.31 mg/l on Fish for substance 4-nitrobenzene-1,3-diamine (CAS no.5131-58-8) on the basis of mortality effects.
Executive summary:

Using the EPI Suite ECOSAR version 1.10, the short term toxicity on fish was predicted for test substance 4 -nitrobenzene-1,3 -diamine (CAS: 5131 -58 -8). On the basis of effects observed in a static freshwater system, the lethal concentration LC50 value for the substance is estimated to be 2515.31 mg/l for fish for 96 hr duration. Based on this value, it can be concluded that the test chemical 4 -nitrobenzene-1,3 -diamine can be considered as non-toxic to fish at environmentally relevant concentrations and can be considered to be not-classified as per the CLP classification criteria.

Description of key information

Using the EPI Suite ECOSAR version 1.10, the short term toxicity on fish was predicted for test substance 4 -nitrobenzene-1,3 -diamine (CAS: 5131 -58 -8). On the basis of effects observed in a static freshwater system, the lethal concentration LC50 value for the substance is estimated to be 2515.31 mg/l for fish for 96 hr duration. Based on this value, it can be concluded that the test chemical 4 -nitrobenzene-1,3 -diamine can be considered as non-toxic to fish at environmentally relevant concentrations and can be considered to be not-classified as per the CLP classification criteria.

Key value for chemical safety assessment

LC50 for freshwater fish:
2 515.31 mg/L

Additional information

Three studies including predicted data from validated model and experimental studies from authorative database for short term fish toxicity endpoint of target chemical 4-nitrobenzene-1, 3-diamine (Cas no. 5131-58-8) with relevant read across chemical which is structurally similar to target were summarized as follows:

First prediction using ECOSAR v.1.11 model which indicate the short term toxicity on fish for test substance 4 -nitrobenzene-1,3 -diamine (CAS: 5131 -58 -8). On the basis of effects observed in a static freshwater system, the lethal concentration LC50 value for the substance is estimated to be 2515.31 mg/l for fish for 96 hr duration. Based on this value, it can be concluded that the test chemical 4 -nitrobenzene-1,3 -diamine can be considered as non-toxic to fish at environmentally relevant concentrations and can be considered to be not-classified as per the CLP classification criteria.

Above aquatic classification supported by experiment data of read across chemical 4-nitroaniline (Cas no. 100-01-6) suggest in Acute fish toxicity data the lethal concentration (LC50) determine of test substance 4-nitroaniline for exposure period of 96 hrs. on the basis of mortality effects. Test organism was used asPimephales promelas (Fathead Minnow)in static freshwater with test temp.22 deg.C and dissolved oxygen > 40 %,pH 7.2 to 7.6,Hardness 40 to 48 mg/L CaCO3 and ALKALINITY:30 to 35 mg/L CaCO3 with conductivity 120-160 UMHOS/CM.The Lethal concentration to 50% of test organisms(LC50) on the basis of mortality effect was observed to be 101.8 mg/l for exposure period of 96 hrs.(Ecotox database by US EPA)

 Last study from same data source i.e Ecotox database for same read across chemical 4-nitroaniline (Cas no. 100-01-6) suggest the lethal concentration (LC50) determine of test substance 4-nitroaniline for exposure period of 96 hrs. on the basis of mortality effects. Test organism was used as Pimephales promelas (Fathead Minnow) of 32 days age with 20.3 MM length and 0.107 G weight in static freshwater with test temp.24.9deg.C and dissolved oxygen6.3 mg/l,pH7.5,Hardness48.3mg/L CaCO3 and ALKALINITY: 43.5mg/L CaCO3.The Lethal concentration to 50% of test organisms (LC50) on the basis of mortality effect was observed to be 125 mg/l for exposure period of 96 hrs with 95% confidence limit 110-142.

Thus all above available studies for short term fish toxicity give common conclusion as test chemical 4-nitrobenzene-1, 3-diamine (Cas no. 5131-58-8) was non hazardous to fish as per the CLP regulation since the lethal concentration (LC50) is in the range 101.8 -2515.31 mg/l.