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Short-term toxicity to fish

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Reference
Endpoint:
short-term toxicity to fish
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:
no guideline available
Principles of method if other than guideline:
Prediction is done using OECD QSAR Toolbox version 3.3 with log Kow as the primary descriptor.
GLP compliance:
not specified
Analytical monitoring:
not specified
Vehicle:
not specified
Test organisms (species):
Pimephales promelas
Test type:
static
Water media type:
freshwater
Total exposure duration:
96 h
Hardness:
No data
Test temperature:
24 deg.C
pH:
6.9
Dissolved oxygen:
No data
Salinity:
No data
Conductivity:
No data
Nominal and measured concentrations:
No data
Details on test conditions:
No data
Reference substance (positive control):
not specified
Duration:
96 h
Dose descriptor:
EC50
Effect conc.:
140.24 mg/L
Nominal / measured:
estimated
Conc. based on:
test mat.
Basis for effect:
mortality

The prediction was based on dataset comprised from the following descriptors: EC50
Estimation method: Takes average value from the 5 nearest neighbours
Domain  logical expression:Result: In Domain

((((("a" or "b" or "c" or "d" or "e" )  and ("f" and ( not "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 Radical AND Radical >> Radical mechanism via ROS formation (indirect) AND Radical >> Radical mechanism via ROS formation (indirect) >> Single-Ring Substituted Primary Aromatic Amines AND SN1 AND SN1 >> Nucleophilic attack after metabolic nitrenium ion formation AND SN1 >> Nucleophilic attack after metabolic nitrenium ion formation >> Single-Ring Substituted Primary Aromatic Amines by DNA binding by OASIS v.1.3

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as SN1 AND SN1 >> Nitrenium Ion formation AND SN1 >> Nitrenium Ion formation >> Primary aromatic amine by DNA binding by OECD

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Weak binder, NH2 group by Estrogen Receptor Binding

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as Anilines (amino-para) AND Anilines (Unhindered) by Aquatic toxicity classification by ECOSAR

Domain logical expression index: "f"

Referential boundary: The target chemical should be classified as Weak binder, NH2 group by Estrogen Receptor Binding

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as Moderate binder, NH2 group by Estrogen Receptor Binding

Domain logical expression index: "h"

Referential boundary: The target chemical should be classified as Anilines (Hemolytic anemia with methemoglobinemia) Rank A AND Anilines (Hepatotoxicity) Rank C by Repeated dose (HESS)

Domain logical expression index: "i"

Referential boundary: The target chemical should be classified as Chlorphentermine (Hepatotoxicity) Alert by Repeated dose (HESS)

Domain logical expression index: "j"

Referential boundary: The target chemical should be classified as Amine AND Aromatic compound AND Aryl chloride AND Aryl halide AND Halogen derivative AND Primary amine AND Primary aromatic amine by Organic functional groups, Norbert Haider (checkmol)

Domain logical expression index: "k"

Referential boundary: The target chemical should be classified as Alkyl halide by Organic functional groups, Norbert Haider (checkmol)

Domain logical expression index: "l"

Parametric boundary:The target chemical should have a value of log Kow which is >= 0.159

Domain logical expression index: "m"

Parametric boundary:The target chemical should have a value of log Kow which is <= 1.47

Validity criteria fulfilled:
not specified
Conclusions:
The median effective concentration (EC50) for the test substance, 2-chloro-p-phenylenediamine, in Pimephales promelas on the basis of mortality effect was estimated to be 140.24 mg/L in a 96 hours of exposure.
Executive summary:

A study was predicted using OECD QSAR toolbox version 3.3 (2017); to assess the toxicity effect of 2-chloro-p-phenylenediamine on fish in a 96 hours of exposure. The median effective concentration (EC50) for the test substance, 2-chloro-p-phenylenediamine, in Pimephales promelas on the basis of mortality effect was estimated to be 140.24 mg/L. Thus, on the basis of this EC50 value and according to CLP Criteria for aquatic classification of the substance, it is concluded that 2-chloro-p-phenylenediamine (CAS No. 615-66-7) does not exhibit short term toxicity to fish.

Description of key information

A study was predicted using OECD QSAR toolbox version 3.3 (2017); to assess the toxicity effect of 2-chloro-p-phenylenediamine on fish in a 96 hours of exposure. The median effective concentration (EC50) for the test substance, 2-chloro-p-phenylenediamine, in Pimephales promelas on the basis of mortality effect was estimated to be 140.24 mg/L. Thus, on the basis of this EC50 value and according to CLP Criteria for aquatic classification of the substance, it is concluded that 2-chloro-p-phenylenediamine (CAS No. 615-66-7) does not exhibit short term toxicity to fish.

Key value for chemical safety assessment

LC50 for freshwater fish:
140.24 mg/L

Additional information

Various studies including predicted results from the validated model and experimental study from a peer-reviewed journal for toxicity to fish with the target substance 2-chloro-p-phenylenediamine (CAS No. 615-66-7) and to its relevant read across substance 4-methyl-m-phenylenediamine (CAS No. 95-80-7) by considering its structure-activity relationships, were summarized as follows:

 

A study was predicted using OECD QSAR toolbox version 3.3 (2017); to assess the toxicity effect of 2-chloro-p-phenylenediamine on fish in a 96 hours of exposure. The median effective concentration (EC50) for the test substance, 2-chloro-p-phenylenediamine, in Pimephales promelas on the basis of mortality effect was estimated to be 140.24 mg/L.

 

In addition, based on the Ecological Structure Activity Relationships (ECOSAR) Predictive Model version 1.11 (2017), the median lethal concentration (LC50) for the test substance, 2-chloro-p-phenylenediamine, in fish was estimated to be 4337.28 mg/L on the basis of mortality effect in a 96 hour study.

 

Moreover, the study was designed by Holcombe,G.W. et al. (Arch. Environ. Contam. Toxicol.28(3): 287-297) to assess the toxic effects of the test compound 4-methyl-m-phenylenediamine on Oryzias latipes (Japanese Medaka) fish in a 96 hours of exposure. 50% mortality was observed. Thus, the median lethal concentration (LC50) for the test substance, 4-methyl-m-phenylenediamine, in Oryzias latipes on the basis of mortality effect was considered to be 912.0 (797 to 1040) mg/L.

Based on the above predicted and experimental studies for target substance 2-chloro-p-phenylene diamine (CAS No. 615-66-7) and to its read across substance 4-methyl-m-phenylenediamine (CAS No. 95-80-7), the effective concentration EC50 value was found to be 140.24 mg/L and LC50 value was found to be in the range of 912.0 to 4337.28 mg/L. Thus, on the basis of this EC50 and LC50 value and according to CLP Criteria for aquatic classification of the substance, it is concluded that 2-chloro-p-phenylenediamine (CAS No. 615-66-7) does not exhibit short term toxicity to fish.