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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:
other: Data is from predicted model QSAR Toolbox version 3.3
Justification for type of information:
Data is from predicted model QSAR Toolbox version 3.3
Reference:
Composition 0
Qualifier:
according to
Guideline:
other: Prediction is done using QSAR Toolbox version 3.3
Principles of method if other than guideline:
Prediction is done using QSAR Toolbox version 3.3
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): (5or8)-aminonaphthalene-2-sulphonic acid
- Molecular formula (if other than submission substance): C10-H9-N-O3-S
- Molecular weight (if other than submission substance): 223.2511
- Smiles notation (if other than submission substance): c1cc2cc(ccc2c(c1)N)S(=O)(=O)O
- InChl (if other than submission substance): 1S/C10H9NO3S/c11-10-3-1-2-7-6-8(15(12,13)14)4-5-9(7)10/h1-6H,11H2,(H,12,13,14)
- Substance type: Organic
- Physical state: Solid
Analytical monitoring:
not specified
Details on sampling:
not specified
Vehicle:
not specified
Details on test solutions:
not specified
Test organisms (species):
Danio rerio (previous name: Brachydanio rerio)
Test type:
static
Water media type:
freshwater
Total exposure duration:
96 h
Hardness:
No data
Test temperature:
20 deg.C
pH:
6.7-7.8
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:
LC50
Effect conc.:
176.189 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: LC50
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("g" and "h") )

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 Aniline AND Aryl AND Fused carbocyclic aromatic AND Naphtalene AND Sulfonic acid by Organic Functional groups

Domain logical expression index: "c"

Referential boundary:The target chemical should be classified as Aniline AND Fused carbocyclic aromatic AND Naphtalene AND Overlapping groups AND Sulfonic acid by Organic Functional groups (nested)

Domain logical expression index: "d"

Referential boundary:The target chemical should be classified as Aliphatic Nitrogen, one aromatic attach [-N] AND Aromatic Carbon [C] AND Hydroxy, sulfur attach [-OH] AND Miscellaneous sulfide (=S) or oxide (=O) AND Olefinic carbon [=CH- or =C<] AND Suflur {v+4} or {v+6} AND Sulfinic acid [-S(=O)OH] AND Sulfonate, aromatic attach [-SO2-O] 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 Primary amine AND Primary aromatic amine AND Sulfonic acid AND Sulfonic acid derivative by Organic functional groups, Norbert Haider (checkmol)

Domain logical expression index: "f"

Referential boundary:The target chemical should be classified as Class 5 (Not possible to classify according to these rules) by Acute aquatic toxicity classification by Verhaar (Modified) ONLY

Domain logical expression index: "g"

Parametric boundary:The target chemical should have a value of log Kow which is >= -1.92

Domain logical expression index: "h"

Parametric boundary:The target chemical should have a value of log Kow which is <= 1.24

Validity criteria fulfilled:
not specified
Conclusions:
By QSAR Toolbox version 3.3 predicted model the short term toxicity (LC50) in Brachydanio rerio (new name: Danio rerio) fish was estimated to be 176.189147949 mg/l for 96 hrs in static condition for test substance (5or8)-aminonaphthalene-2-sulphonic acid with mortality effects.
Executive summary:

By QSAR Toolbox version 3.3 predicted model the short term toxicity (LC50) in Brachydanio rerio (new name: Danio rerio) fish was estimated to be 176.189147949 mg/l for 96 hrs in static condition for test substance (5or8)-aminonaphthalene-2-sulphonic acid with mortality effects.

Thus based on predicted value concluded that the test substance (5or8)-aminonaphthalene-2-sulphonic acid is non toxic to fish.

Description of key information

By QSAR Toolbox version 3.3 predicted model the short term toxicity (LC50) in Brachydanio rerio (new name: Danio rerio) fish was estimated to be 176.189147949 mg/l for 96 hrs in static condition for test substance (5or8)-aminonaphthalene-2-sulphonic acid with mortality effects. 
Thus based on predicted value concluded that the test substance (5or8)-aminonaphthalene-2-sulphonic acid is non toxic to fish.

Key value for chemical safety assessment

LC50 for freshwater fish:
176.189 mg/L

Additional information

Short term toxicity to fish was assessed for the target compound (5or8)-aminonaphthalene-2-sulphonic acid (CAS no 51548-48-2) and its related read- across by reviewing a number of studies. The summary of the results are presented below:

 

Short term aquatic toxic effects of the test compound (5or8)-aminonaphthalene-2-sulphonic acid (CAS no 51548-48-2) was predicted (SSS QSAR, 2016). The study was based on the effects of the test compound on the fish species Brachydanio rerio (new name: Danio rerio) in 96 hrs duration in a fresh water static system. The predicted data suggests the lethal concentration (LC50) for (5or8)-aminonaphthalene-2-sulphonic acid on the basis of mortality to be 176.1891 mg/L. This value concluded that the test compound (5or8)-aminonaphthalene-2-sulphonic acid does not exhibit short term toxicity to fish (Brachydanio rerio (new name: Danio rerio)) and is non hazardous to the aquatic environment.

Other predicted model ECOSAR Version 1.10 indicate that, the 96 hours LC50 was estimated to be 74690.617mg/l on fish for substance (5or8)-aminonaphthalene-2-sulphonic acid with mortality effects.

Whereas experimental study (Chemophere. Vol. 28, No. 12, pp. 2203.2236, 1994) for read across substance 6-aminonaphthalene-1,3-disulphonic acid (118-33-2)indicate that the lethal concentration (LC0) of test substance for fish Leuciscus idus, Bruchydunio rerio,Salmo gaidneri, Pimephales promelas, Lepomis macrochirus, Poecilia reticulate was found to be 1000 mg/l for 96 hrs.

And other database (Data bank of Environmental Properties of Chemicals (EnviChem), 2014) for read across Sodium naphthionate (Cas no.130-13-2)indicate that the median lethal concentration (LC50) of test substance substance Sodium naphthionate for fish Oryzias latipes was found to be >4000 mg/l for 48 hrs. on the basis of mortality effects.

Based on above available studies it is concluded that the substance (5or8)-aminonaphthalene-2-sulphonic acid (CAS no 51548-48-2) not qualify for the aquatic classification as per the CLP criteria.